4GWR
Crystal Structure of the second 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 | 2012-06-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9760 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.731, 40.637, 41.488 |
| Unit cell angles | 93.43, 112.66, 101.22 |
Refinement procedure
| Resolution | 39.410 - 1.810 |
| R-factor | 0.17745 |
| Rwork | 0.175 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ef0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.363 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 17069 | |
| <I/σ(I)> | 15.8 | 2.5 |
| Completeness [%] | 96.8 | 86.01 |
| Redundancy | 2.4 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 294 | 0.1M citric acid, 25% PEG3350, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
