5D7D
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 | 2011-02-03 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.300, 55.446, 51.029 |
Unit cell angles | 90.00, 100.95, 90.00 |
Refinement procedure
Resolution | 50.100 - 1.600 |
R-factor | 0.1669 |
Rwork | 0.165 |
R-free | 0.19460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kzn |
RMSD bond length | 0.026 |
RMSD bond angle | 2.527 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP (10.2.35) |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.100 | 50.100 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.036 | 0.027 | 0.492 |
Total number of observations | 138531 | 14929 | 11360 |
Number of reflections | 51220 | ||
<I/σ(I)> | 12 | 36.8 | 2.2 |
Completeness [%] | 98.5 | 96.9 | 90.3 |
Redundancy | 2.68 | 2.83 | 2.44 |
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 |