PDBsum entry 1uo6

Hydrolase

PDB id: 1uo6

Contents

Protein chain

240 a.a. *

Ligands

GOL

SO4 ×2

Metals

_XE

_CL

_NA

Waters ×222

* Residue conservation analysis

PDB id:

1uo6

Name:

Hydrolase

Title:

Porcine pancreatic elastase/xe-complex

Structure:

Elastase 1. Chain: a. Ec: 3.4.21.36

Source:

Sus scrofa. Pig. Organism_taxid: 9823

Resolution:

1.65Å R-factor: 0.174 R-free: 0.208

Authors:

C.Mueller-Dieckmann,M.Polentarutti,K.Djinovic-Carugo,S.Panjikar, P.A.Tucker,M.S.Weiss

Key ref:

C.Mueller-Dieckmann et al. (2004). On the routine use of soft X-rays in macromolecular crystallography. Part II. Data-collection wavelength and scaling models. Acta Crystallogr D Biol Crystallogr, 60, 28-38. PubMed id: 14684889 DOI: 10.1107/S0907444903020833

Date:

16-Sep-03 Release date: 14-Oct-03

Protein chain

P00772  (CELA1_PIG) -  Chymotrypsin-like elastase family member 1 from Sus scrofa

Seq: 266 a.a.

Struc: 240 a.a.

Enzyme reactions

• Enzyme class: E.C.3.4.21.36 - pancreatic elastase.
• Reaction: Hydrolysis of proteins, including elastin. Preferential cleavage: Ala-|-Xaa.

DOI no: 10.1107/S0907444903020833

Acta Crystallogr D Biol Crystallogr 60:28-38 (2004)

PubMed id: 14684889

On the routine use of soft X-rays in macromolecular crystallography. Part II. Data-collection wavelength and scaling models.

C.Mueller-Dieckmann, M.Polentarutti, K.Djinovic Carugo, S.Panjikar, P.A.Tucker, M.S.Weiss.

ABSTRACT

Complete and highly redundant data sets were collected at nine different wavelengths between 0.80 and 2.65 A on a xenon derivative of porcine pancreatic elastase in both air and helium atmospheres. The magnitude of the anomalous signal, as assessed by the xenon-peak height in the anomalous difference Patterson synthesis, is affected by the wavelength of data collection as well as by the scaling model used. For data collected at wavelengths longer than 1.7 A, the use of a three-dimensional scaling protocol is essential in order to obtain the highest possible anomalous signal. Based on the scaling protocols currently available, the optimal wavelength range for data collection appears to be between 2.1 and 2.4 A. Beyond that, any further increase in signal will be compensated for or even superseded by a concomitant increase in noise, which cannot be fully corrected for. Data collection in a helium atmosphere yields higher I/sigma(I) values, but not significantly better anomalous differences, than data collection in air.

Selected figure(s)

Figure 1.
Figure 1 Schematic representation of the relevant absorption coefficients in a diffraction experiment. The four different coefficients are [1] for absorption in the crystal, [2] for absorption in the mother liquor surrounding the crystal, [3] for absorption by the nylon loop used and [4] for absorption in air (or helium).

Figure 6.
Figure 6 I/ (I) as a function of resolution (1/d^2) for the PPE-Xe data set I-Air (black lines) and I-He (red lines). The dip at 3.5 Å resolution in the upper curve is a result of the appearance of an ice ring on the images of the later data sets.

The above figures are reprinted by permission from the IUCr: Acta Crystallogr D Biol Crystallogr (2004, 60, 28-38) copyright 2004.

Figures were selected by an automated process.