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 |
