8BN6
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-06 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 45.200, 115.650, 38.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.630 - 1.600 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ptf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.392 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.8) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.630 | 38.630 | 1.630 |
High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
Rmerge | 0.097 | 0.021 | 2.649 |
Rmeas | 0.101 | 0.022 | 2.759 |
Rpim | 0.028 | 0.007 | 0.766 |
Total number of observations | 363437 | 2237 | 17268 |
Number of reflections | 27590 | 217 | 1351 |
<I/σ(I)> | 13.8 | 56.8 | 1 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 13.2 | 10.3 | 12.8 |
CC(1/2) | 1.000 | 1.000 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | NULL |