9XUB
Crystal Structure of Thioredoxin reductase from Mycobacterium tuberculosis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-05-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.354, 107.600, 220.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.410 - 2.600 |
| R-factor | 0.1824 |
| Rwork | 0.180 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.920 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.693 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.118 | 0.425 |
| Rpim | 0.032 | 0.115 |
| Number of reflections | 36652 | 3630 |
| <I/σ(I)> | 21.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 294 | 0.2 M Ammonium nitrate PH 6.2,20% w/v Polyethylene glycol 3350 |
