6ZA5
M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98012 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 193.973, 193.973, 257.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 154.830 - 2.109 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rv7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 154.831 | 2.150 |
| High resolution limit [Å] | 2.109 | 2.109 |
| Rpim | 0.040 | 0.769 |
| Number of reflections | 131041 | 6551 |
| <I/σ(I)> | 17.7 | |
| Completeness [%] | 93.9 | 85.6 |
| Redundancy | 27 | 26.5 |
| CC(1/2) | 0.998 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.75 M MgSO4, 0.1 M MES pH 6.5 |
