5G31
Crystallographic structure of mutant C73S of thioredoxin from Litopenaeus vannamei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 63.444, 63.444, 56.297 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.862 - 2.000 |
| R-factor | 0.2113 |
| Rwork | 0.208 |
| R-free | 0.23930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zzx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.908 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.860 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.340 |
| Number of reflections | 8227 | |
| <I/σ(I)> | 31.7 | 7.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.6 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 20 % (W/V) POLYETHYLENE GLYCOL 3,000. 100 MM IMIDAZOLE PH 8.0. 200 MM ZINC ACETATE |
