5D7R
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-03-13 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.192, 55.514, 51.114 |
Unit cell angles | 90.00, 100.65, 90.00 |
Refinement procedure
Resolution | 31.340 - 1.550 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.21970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kzn |
RMSD bond length | 0.027 |
RMSD bond angle | 2.426 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.7 W8RSSI) |
Phasing software | MOLREP (10.2.35) |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.340 | 31.700 | 1.610 |
High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
Rmerge | 0.043 | 0.030 | 0.326 |
Total number of observations | 162167 | 19542 | 10645 |
Number of reflections | 48610 | ||
<I/σ(I)> | 13.3 | 38.7 | 2.5 |
Completeness [%] | 84.8 | 98.2 | 72.7 |
Redundancy | 3.31 | 3.29 | 2.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 296 | 40-43% MPD_P1K_P3350, 100 mM Mops/Na-Hepes, 100 mM Divalents |