4EF0
Crystal Structure of the first catalytic domain of protein disulfide isomerase P5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-20 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9779 |
Spacegroup name | H 3 |
Unit cell lengths | 129.852, 129.852, 45.226 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.17697 |
Rwork | 0.176 |
R-free | 0.19257 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f8u |
RMSD bond length | 0.006 |
RMSD bond angle | 0.936 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 42790 | |
<I/σ(I)> | 34.1 | 2.4 |
Completeness [%] | 99.0 | 89.82 |
Redundancy | 3.5 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1 M succinic acid, 15%(w/v) PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |