5TRY
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2206
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 | 120.650, 197.481, 164.810 |
| Unit cell angles | 90.00, 103.05, 90.00 |
Refinement procedure
| Resolution | 51.094 - 3.000 |
| R-factor | 0.184197980489 |
| Rwork | 0.182 |
| R-free | 0.23361 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hfa |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.634 |
| 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] | 51.094 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.106 | 0.454 |
| Number of reflections | 149567 | |
| <I/σ(I)> | 6 | 1.9 |
| Completeness [%] | 99.3 | 94.6 |
| Redundancy | 3.1 | 3 |
| CC(1/2) | 0.973 | 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), 14% PEG-3350 |
