6T65
Crsytal structure of Acinetobacter baumannii FabG inhibitor complex at 2.35 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.07227 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.065, 128.738, 65.747 |
| Unit cell angles | 90.00, 113.06, 90.00 |
Refinement procedure
| Resolution | 44.000 - 2.350 |
| R-factor | 0.2133 |
| Rwork | 0.212 |
| R-free | 0.23970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4afn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.387 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.080 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.053 | 0.514 |
| Rmeas | 0.071 | 0.700 |
| Rpim | 0.049 | 0.471 |
| Number of reflections | 38286 | 3749 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.998 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M NaCl 0.1 M hepes pH 7.5 27% PEG 3350 |
