5Z4O
Bacterial GyrB ATPase domain in complex with a chemical fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.882, 67.750, 102.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.660 - 1.730 |
R-factor | 0.19788 |
Rwork | 0.196 |
R-free | 0.22665 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4duh |
RMSD bond length | 0.007 |
RMSD bond angle | 1.187 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.750 | 1.770 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.049 | 0.523 |
Number of reflections | 43503 | 3223 |
<I/σ(I)> | 16.5 | |
Completeness [%] | 95.3 | |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 281 | 0.1M Tris-HCl pH 7.5, 2.20M (NH4)2HPO4, 10mM 2-aminobenzimidazole |