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 |
