2VOC
THIOREDOXIN A ACTIVE SITE MUTANTS FORM MIXED DISULFIDE DIMERS THAT RESEMBLE ENZYME-SUBSTRATE REACTION INTERMEDIATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.765, 38.395, 41.878 |
| Unit cell angles | 83.33, 66.62, 78.08 |
Refinement procedure
| Resolution | 22.950 - 1.500 |
| R-factor | 0.188 |
| Rwork | 0.185 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | POLYSERINE MODEL OF PDB ENTRY 2TRX |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.048 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | 0.340 |
| Number of reflections | 31147 | |
| <I/σ(I)> | 15.6 | 1.9 |
| Completeness [%] | 94.5 | 90.1 |
| Redundancy | 2.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 0.1 M TRIS PH 7.8, 0.1 M MAGNESIUM CHLORIDE, 4% ACETONITRILE, 35% PEG 4000 |
