7PQL
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704
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 | 2021-02-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.111, 48.436, 83.317 |
| Unit cell angles | 90.00, 124.17, 90.00 |
Refinement procedure
| Resolution | 43.650 - 1.600 |
| R-factor | 0.1638 |
| Rwork | 0.161 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pqi |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.283 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.610 | 43.610 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.090 | 0.024 | 1.638 |
| Rmeas | 0.098 | 0.026 | 1.853 |
| Rpim | 0.038 | 0.010 | 0.843 |
| Total number of observations | 345218 | 2295 | 11402 |
| Number of reflections | 52822 | 358 | 2479 |
| <I/σ(I)> | 13.1 | 82.3 | 0.6 |
| Completeness [%] | 99.7 | 99.4 | 94.3 |
| Redundancy | 6.5 | 6.4 | 4.6 |
| CC(1/2) | 0.998 | 1.000 | 0.427 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | NULL |
