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 |