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 |