5K2X
Crystal structure of M. tuberculosis UspC (tetragonal crystal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-01-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 41 |
| Unit cell lengths | 87.850, 87.850, 52.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.310 - 1.500 |
| R-factor | 0.1636 |
| Rwork | 0.162 |
| R-free | 0.18910 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.593 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.310 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.106 | 0.808 |
| Number of reflections | 64354 | |
| <I/σ(I)> | 13.8 | 3.2 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 6.8 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 0.12 M of 1,6-Hexanediol; 1-Butanol; 1,2-Propanediol; 2-Propanol; 1,4-Butanediol; 1,3-Propanediol; 1 M of imidazole, MES; 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350 |
