4OTK
A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.270, 86.270, 86.290 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.580 - 1.600 |
R-factor | 0.1468 |
Rwork | 0.146 |
R-free | 0.16850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wzt |
RMSD bond length | 0.006 |
RMSD bond angle | 1.045 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.580 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 49368 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 0.2M Na-Malonate pH 5.0, 19% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |