5DL5
Crystal structure of Acinetobacter baumannii OccAB1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 6 |
| Unit cell lengths | 134.073, 134.073, 54.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 116.110 - 2.050 |
| R-factor | 0.19181 |
| Rwork | 0.190 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sys |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.267 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 116.110 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.055 | 0.683 |
| Number of reflections | 35036 | |
| <I/σ(I)> | 19.1 | 2.1 |
| Completeness [%] | 99.2 | 96 |
| Redundancy | 6.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 32% PEG 400, 0.2 M ammonium phosphate, 0.1 M ammonium sulphate, 0.1 M sodium citrate pH 4.5 |
