5TS0
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208
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 | 2014-08-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 120.553, 198.542, 165.725 |
| Unit cell angles | 90.00, 103.24, 90.00 |
Refinement procedure
| Resolution | 49.615 - 2.847 |
| R-factor | 0.179644519197 |
| Rwork | 0.177 |
| R-free | 0.23510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.213 |
| 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] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.081 | 0.547 |
| Number of reflections | 171593 | |
| <I/σ(I)> | 9.3 | 3.4 |
| Completeness [%] | 98.2 | 95.4 |
| Redundancy | 3.5 | 3.4 |
| CC(1/2) | 0.990 | 0.701 |
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 |
