5DL8
Crystal structure of Acinetobacter baumannii OccAB4
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 | 2014-07-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.920000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 170.303, 90.555, 101.668 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.200 |
| R-factor | 0.2077 |
| Rwork | 0.207 |
| R-free | 0.24782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sys |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.419 |
| 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] | 67.620 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.126 | 0.789 |
| Number of reflections | 80260 | |
| <I/σ(I)> | 11.6 | 2.2 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 7.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 4000 0.1 M potassium chloride 0.02 M Tris pH 7.0 |
