3IFZ
crystal structure of the first part of the Mycobacterium tuberculosis DNA gyrase reaction core: the breakage and reunion domain at 2.7 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 | 2009-05-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.915, 109.660, 101.996 |
| Unit cell angles | 90.00, 120.40, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.700 |
| R-factor | 0.1941 |
| Rwork | 0.192 |
| R-free | 0.23260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ab4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.719 |
| 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] | 35.000 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.103 | 0.800 |
| Number of reflections | 42396 | |
| <I/σ(I)> | 12.46 | 2.17 |
| Completeness [%] | 98.6 | 98 |
| Redundancy | 3.44 | 3.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Hepes, MPD, PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
