4OO5
Crystal Structure of S-nitrosated Human Thioredoxin Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.008, 26.038, 51.090 |
| Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
| Resolution | 25.450 - 1.540 |
| R-factor | 0.19396 |
| Rwork | 0.191 |
| R-free | 0.24836 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ert |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.025 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.450 | 1.630 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.076 | 0.326 |
| Number of reflections | 12978 | |
| <I/σ(I)> | 7.2 | 2.1 |
| Completeness [%] | 98.7 | 95.9 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 289 | 21% PEG 3350, 0.1 M sodium acetate, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
