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 |