5L3J
ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-02 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.286, 49.585, 70.212 |
| Unit cell angles | 90.00, 93.48, 90.00 |
Refinement procedure
| Resolution | 70.080 - 2.830 |
| R-factor | 0.2601 |
| Rwork | 0.258 |
| R-free | 0.28850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.113 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.080 | 3.080 |
| High resolution limit [Å] | 2.830 | 2.830 |
| Rmerge | 0.076 | 0.446 |
| Number of reflections | 9437 | |
| <I/σ(I)> | 11.17 | |
| Completeness [%] | 96.7 | 96.5 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277.15 | 15-25% PEG3350 |
