4LXF
Crystal structure of M. tuberculosis TreS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 161.640, 161.640, 139.110 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.200 - 2.600 |
| R-factor | 0.21469 |
| Rwork | 0.213 |
| R-free | 0.24041 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ze0 1uok 2pwe 1wza |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.003 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.200 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.060 | 0.668 |
| Number of reflections | 63561 | |
| <I/σ(I)> | 16.1 | 1.7 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.1 M NaCitrate, 0.5 M (NH4)2SO4, 1 M Li2SO4, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
