PDB -> mmCIF Data Item Correspondences


This document tabulates the correspondences between data items in the structured records of the PDB file format and data items defined in the mmCIF dictionary. The structured records in the following list are linked to tables which provide the data item correspondences. The mmCIF data items are in term linked to their definitions in the HTML mmCIF dictionary.


Remark Field Name mmCIF Data Item
REMARK 3, REFINEMENT  
SOFTWARE PACKAGES : _em_2d_projection_selection.software_name
RECONSTRUCTION SCHEMA : _em_3d_reconstruction.method
 
EM MAP-MODEL FITTING AND REFINEMENT 
PDB ENTRY : _3d_fitting_list.pdb_entry_id
REFINEMENT SPACE : _3d_fitting.ref_space
REFINEMENT PROTOCOL : _3d_fitting.ref_protocol
REFINEMENT TARGET : _3d_fitting.target_criteria
OVERALL ANISOTROPIC B VALUE : _3d_fitting.overall_b_value
 
FITTING PROCEDURE : _3d_fitting.method
 
EM IMAGE RECONSTRUCTION STATISTICS 
NOMINAL PIXEL SIZE (ANGSTROMS) : _em_3d_reconstruction.nominal_pixel_size
ACTUAL PIXEL SIZE (ANGSTROMS) : _em_3d_reconstruction.actual_pixel_size
EFFECTIVE RESOLUTION (ANGSTROMS) : _em_3d_reconstruction.resolution
NUMBER OF PARTICLES : _em_2d_projection_selection.num_particles
CTF CORRECTION METHOD : _em_3d_reconstruction.ctf_correction_method
 
EM RECONSTRUCTION MAGNIFICATION CALIBRATION : _em_3d_reconstruction.magnification_calibration
 
OTHER DETAILS : _em_3d_reconstruction.details

Remark Field Name mmCIF Data Item
REMARK 245, EXPERIMENTAL DETAILS  
EXPERIMENT TYPE: CRYO-ELECTRON MICROSCOPY            _exptl.method
 
ELECTRON MICROSCOPE SAMPLE  
SAMPLE AGGREGATION STATE : _assembly.aggregation_state
NAME OF SAMPLE : _assembly.name
SAMPLE CONCENTRATION : _em_sample_preparation.sample_concentration
SAMPLE SUPPORT DETAILS : _em_sample_support.details
SAMPLE VITRIFICATION DETAILS : _em_sample_vitrification.details
SAMPLE BUFFER : _em_sample_buffer.name
PH : _em_sample_preparation.ph
SAMPLE DETAILS : _assembly.details
 
DATA ACQUISITION  
DATE OF EXPERIMENT : _em_imaging.date
NUMBER OF MICROGRAPHS-IMAGES USED : _em_image_scans.number_digital_images
TEMPERATURE (KELVIN) : _em_imaging.temperature
MICROSCOPE MODEL : _em_imaging.microscope_model
DETECTOR TYPE : _em_detector.type
MINIMUM DEFOCUS (NM) : _em_imaging.nominal_defocus_min
MAXIMUM DEFOCUS (NM) : _em_imaging.nominal_defocus_max
MINIMUM TILT ANGLE (DEGREES) : _em_imaging.tilt_angle_min
MAXIMUM TILT ANGLE (DEGREES) : _em_imaging.tilt_angle_max
NOMINAL CS : _em_imaging.nominal_cs
IMAGING MODE : _em_imaging.mode
ELECTRON DOSE (ELECTRONS NM**-2) : _em_imaging.electron_dose
ILLUMINATION MODE : _em_imaging.illumination_mode
NOMINAL MAGNIFICATION : _em_imaging.nominal_magnification
CALIBRATED MAGNIFICATION : _em_imaging.calibrated_magnification
SOURCE : _em_imaging.electron_source
ACCELERATION VOLTAGE (KV) : _em_imaging.accelerating_voltage
IMAGING DETAILS : _em_imaging.details

Remark Field Name mmCIF Data Item
REMARK 300, BIOMOLECULE  
ASSEMBLY COMPONENTS 
COM_ID : _entity_assembly.id
NAME : _entity_assembly.name
IPR_ID : _entity_assembly.ipr_id
GO_ID : _entity_assembly.go_id
OTHER DETAILS: _entity_assembly.details
 
VIRUS PARTICULARS. 
COM_ID : _virus_entity.entity_assembly_id
VIRUS_HOST_CATEGORY : _virus_entity.virus_host_category
VIRUS_HOST_SPECIES : _virus_entity.virus_host_species
VIRUS_HOST_GROWTH_CELL :                                                          _virus_entity.virus_host_growth_cell
VIRUS_TYPE : _virus_entity.virus_type
VIRUS_ISOLATE : _virus_entity.virus_isolate
ICTVDB_ID : _virus_entity.ictvdb_id



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