4B6C
Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-29 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 43.455, 82.251, 191.941 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.060 - 2.200 |
| R-factor | 0.2017 |
| Rwork | 0.199 |
| R-free | 0.25390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL MSM GYRB MODEL |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.060 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.150 | 0.410 |
| Number of reflections | 16117 | |
| <I/σ(I)> | 5.8 | 2.3 |
| Completeness [%] | 89.8 | 51.9 |
| Redundancy | 5.26 | 3.64 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.7 | 100MM NA ACETATE PH 5.7, 200MM CALCIUM ACETATE, 19% PEG 8000 |
