3ZEI
Structure of the Mycobacterium tuberculosis O-Acetylserine Sulfhydrylase (OASS) CysK1 in complex with a small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-10-24 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.820, 71.820, 179.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.150 - 2.000 |
| R-factor | 0.20347 |
| Rwork | 0.202 |
| R-free | 0.23463 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q3b |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.937 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.090 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | 0.710 |
| Number of reflections | 32556 | |
| <I/σ(I)> | 8.8 | 2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100 MM HEPES, PH8.0, 80% MPD |
