5IWM
2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9611 |
Spacegroup name | P 61 |
Unit cell lengths | 93.785, 93.785, 413.350 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.990 - 2.500 |
R-factor | 0.18209 |
Rwork | 0.180 |
R-free | 0.22402 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2xcs |
RMSD bond length | 0.011 |
RMSD bond angle | 1.390 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.120 | 0.325 |
Number of reflections | 65320 | |
<I/σ(I)> | 6.6 | 1.9 |
Completeness [%] | 92.5 | 94.2 |
Redundancy | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | 13% peg 5000MME, 100mM BisTris, pH 6.3 |