6FQM
3.06A COMPLEX OF S.AUREUS GYRASE with imidazopyrazinone T1 AND DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.340, 171.710, 124.870 |
| Unit cell angles | 90.00, 102.86, 90.00 |
Refinement procedure
| Resolution | 59.900 - 3.060 |
| R-factor | 0.19678 |
| Rwork | 0.195 |
| R-free | 0.23440 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5cdq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.691 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 3.140 |
| High resolution limit [Å] | 3.060 | 3.060 |
| Number of reflections | 67466 | 4994 |
| <I/σ(I)> | 8.3 | 1.6 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.994 | 0.654 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.2 | 293 | 8% PEG 5000 MME, 90 mM bis-tris pH 6.2 |
