3WQM
Crystal structure of Rv3378c with inhibitor BPH-629
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-25 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.417, 105.417, 65.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.100 |
Rwork | 0.197 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wqk |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.053 | 0.397 |
Number of reflections | 21574 | |
<I/σ(I)> | 6.4 | |
Completeness [%] | 99.3 | 97.6 |
Redundancy | 10.2 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |