7PQI
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 42.869, 42.869, 256.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.130 - 1.900 |
| R-factor | 0.2176 |
| Rwork | 0.216 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yd9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.435 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 256.190 | 256.190 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.223 | 0.046 | 2.620 |
| Rmeas | 0.228 | 0.047 | 2.668 |
| Rpim | 0.044 | 0.011 | 0.504 |
| Total number of observations | 530228 | 4504 | 34649 |
| Number of reflections | 20179 | 270 | 1269 |
| <I/σ(I)> | 8.8 | 27.1 | 1.2 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 26.3 | 16.7 | 27.3 |
| CC(1/2) | 0.998 | 0.999 | 0.894 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | NULL |
