5TRR
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2169
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 | 120.297, 197.700, 165.184 |
| Unit cell angles | 90.00, 103.01, 90.00 |
Refinement procedure
| Resolution | 47.247 - 3.103 |
| R-factor | 0.1725 |
| Rwork | 0.171 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hfa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.772 |
| 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] | 47.247 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.106 | 0.483 |
| Number of reflections | 131508 | |
| <I/σ(I)> | 7.6 | 2.5 |
| Completeness [%] | 99.5 | 95.1 |
| Redundancy | 3.5 | 3.2 |
| CC(1/2) | 0.980 | 0.775 |
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 |
