4CKL
Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-17 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.820, 96.050, 112.350 |
| Unit cell angles | 90.00, 132.72, 90.00 |
Refinement procedure
| Resolution | 41.510 - 2.050 |
| R-factor | 0.19736 |
| Rwork | 0.196 |
| R-free | 0.22481 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ckk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.523 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.510 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.090 | 0.900 |
| Number of reflections | 77820 | |
| <I/σ(I)> | 15 | 2 |
| Completeness [%] | 99.0 | 98.1 |
| Redundancy | 7.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
