4KFG
The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-10 |
Detector | NOIR-1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.894, 82.477, 53.740 |
Unit cell angles | 90.00, 100.16, 90.00 |
Refinement procedure
Resolution | 44.530 - 1.600 |
R-factor | 0.19381 |
Rwork | 0.192 |
R-free | 0.22096 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kzn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.559 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.530 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 54029 | |
Completeness [%] | 99.7 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 15% PEG 3350 Tris pH 7.5, 0.2M AmSO4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |