5MMO
E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.040, 72.040, 79.330 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.040 - 1.810 |
R-factor | 0.18466 |
Rwork | 0.182 |
R-free | 0.23884 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.580 |
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] | 49.100 | 1.920 |
High resolution limit [Å] | 1.800 | |
Number of reflections | 22048 | |
<I/σ(I)> | 26.5 | 3.8 |
Completeness [%] | 99.4 | |
Redundancy | 10.8 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 26-30% (w/v) PEG 4000, 0.1M sodium/potassium phosphate pH 5.0. |