5TRS
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2144
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 120.509, 198.301, 165.941 |
| Unit cell angles | 90.00, 103.13, 90.00 |
Refinement procedure
| Resolution | 49.871 - 3.084 |
| R-factor | 0.182510984638 |
| Rwork | 0.181 |
| R-free | 0.21071 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.761 |
| 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 | 3.190 |
| High resolution limit [Å] | 3.080 | 3.080 |
| Rmerge | 0.110 | 0.578 |
| Number of reflections | 136892 | |
| <I/σ(I)> | 8.3 | 3.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.979 | 0.781 |
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 |
