7PTF
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9126 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.657, 47.391, 110.626 |
| Unit cell angles | 90.00, 99.49, 90.00 |
Refinement procedure
| Resolution | 109.110 - 1.320 |
| R-factor | 0.1498 |
| Rwork | 0.148 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xtj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.313 |
| 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] | 109.110 | 109.110 | 1.340 |
| High resolution limit [Å] | 1.320 | 7.230 | 1.320 |
| Rmerge | 0.071 | 0.025 | 1.249 |
| Rmeas | 0.078 | 0.028 | 1.386 |
| Rpim | 0.030 | 0.010 | 0.590 |
| Total number of observations | 7054 | 39772 | |
| Number of reflections | 150584 | 1005 | 7368 |
| <I/σ(I)> | 9.9 | 51.1 | 1 |
| Completeness [%] | 100.0 | 99.9 | 99.8 |
| Redundancy | 6.5 | 7 | 5.4 |
| CC(1/2) | 0.999 | 0.999 | 0.474 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | NULL |
