2IFQ
Crystal structure of S-nitroso thioredoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-15 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.080, 25.749, 85.860 |
| Unit cell angles | 90.00, 97.97, 90.00 |
Refinement procedure
| Resolution | 25.130 - 1.200 |
| R-factor | 0.17859 |
| Rwork | 0.177 |
| R-free | 0.20565 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2hxk |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.960 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.100 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.070 | 0.240 |
| Number of reflections | 79717 | |
| <I/σ(I)> | 9.1 | 3.3 |
| Completeness [%] | 97.1 | 98.4 |
| Redundancy | 5.1 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 32% PEG 4000, 50 mM sodium phosphate, ethanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
