5THO
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 120.163, 198.189, 166.237 |
| Unit cell angles | 90.00, 103.35, 90.00 |
Refinement procedure
| Resolution | 49.547 - 3.002 |
| R-factor | 0.1782 |
| Rwork | 0.176 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hfa |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.725 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.550 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.432 | |
| Number of reflections | 146935 | |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 99.2 | |
| Redundancy | 2.6 | |
| CC(1/2) | 0.695 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 60 mM sodium citrate (pH 6.2) and 14% PEG-3350 |
