6OCW
Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A85
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 120.183, 198.647, 166.355 |
| Unit cell angles | 90.00, 103.58, 90.00 |
Refinement procedure
| Resolution | 42.820 - 2.600 |
| R-factor | 0.1883 |
| Rwork | 0.185 |
| R-free | 0.24130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ts0 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 198.650 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.137 | 0.647 |
| Number of reflections | 224759 | 33844 |
| <I/σ(I)> | 10.1 | 2.1 |
| Completeness [%] | 96.8 | 99.9 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.734 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 60 mM sodium citrate, pH 6.2, 14% PEG3350, 35% dimethyl formamide |
