3M4I
Crystal structure of the second part of the Mycobacterium tuberculosis DNA gyrase reaction core: the TOPRIM domain at 1.95 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 52.815, 52.815, 190.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.000 - 1.950 |
| R-factor | 0.2109 |
| Rwork | 0.210 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ab4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.390 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.075 | 0.587 |
| Number of reflections | 20626 | |
| <I/σ(I)> | 16.9 | 3.4 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 7.6 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | AMMONIUM SULFATE, TRIS, PEG 4000, CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
