4CHG
Crystal structure of VapBC15 complex from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-28 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.160, 131.200, 149.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.062 - 2.100 |
R-factor | 0.1691 |
Rwork | 0.167 |
R-free | 0.19970 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 0.970 |
Data reduction software | iMOSFLM |
Data scaling software | SCALEPACK |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.060 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.130 | 0.640 |
Number of reflections | 189170 | |
<I/σ(I)> | 14.1 | 4.5 |
Completeness [%] | 99.3 | 99.8 |
Redundancy | 12.6 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 100 MM SODIUM HEPES PH. 7.0, 8% PEG 8000 AND 10 MM BME |