5Z9F
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 | 2017-05-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.587, 68.097, 102.124 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.660 - 1.760 |
R-factor | 0.20005 |
Rwork | 0.199 |
R-free | 0.22414 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4duh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.255 |
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] | 56.660 | 1.820 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.060 | 0.194 |
Number of reflections | 39564 | 4239 |
<I/σ(I)> | 52 | 14 |
Completeness [%] | 91.5 | 100 |
Redundancy | 5.5 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 281 | 0.1M Tris-HCl pH 7.5, 2.20M (NH4)2HPO4, 10mM 2-aminobenzimidazole |