3IG0
crystal structure of the second part of the Mycobacterium tuberculosis DNA gyrase reaction core: the TOPRIM domain at 2.1 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9762 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 52.870, 52.870, 190.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.960 - 2.100 |
R-factor | 0.2159 |
Rwork | 0.214 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zjt |
RMSD bond length | 0.004 |
RMSD bond angle | 0.835 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | BUSTER-TNT (2.5.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.960 | 2.300 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.147 | 0.556 |
Number of reflections | 16487 | |
<I/σ(I)> | 13.1 | 3.3 |
Completeness [%] | 99.1 | 86.5 |
Redundancy | 8.6 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | ammonium sulfate, Tris, PEG 4000, Mgcl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |