4K4O
The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-18 |
Detector | NOIR-1 |
Wavelength(s) | 0.976200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.450, 58.350, 65.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.580 - 1.300 |
R-factor | 0.17911 |
Rwork | 0.178 |
R-free | 0.19614 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gee |
RMSD bond length | 0.006 |
RMSD bond angle | 1.417 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.580 | 1.380 |
High resolution limit [Å] | 1.300 | 1.300 |
Completeness [%] | 99.2 | 97.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 25% (W/V) PEG 1500, 3% (V/V) T-BUTANOL, 20% (W/V) GLYCEROL, 20 MM CITRATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |