4KSG
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-08 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.680, 58.660, 65.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.760 - 1.750 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.20900 |
Structure solution method | 4GEE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.657 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 34.210 |
High resolution limit [Å] | 1.750 |
Number of reflections | 22053 |
Completeness [%] | 100.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 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, temperature 293K |