5OCW
Structure of Mycobacterium tuberculosis tryptophan synthase in space group F222
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-16 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 426.050, 432.110, 434.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.800 - 4.000 |
| R-factor | 0.3583 |
| Rwork | 0.358 |
| R-free | 0.36779 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e0k |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.702 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.800 | 4.070 |
| High resolution limit [Å] | 4.000 | 4.000 |
| Rmerge | 0.130 | 0.674 |
| Number of reflections | 160634 | |
| <I/σ(I)> | 6.4 | 1.2 |
| Completeness [%] | 96.3 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.994 | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES, pH 6.0, 50 % polypropylene 701 glycol 400, 5 % DMSO |
