5DL6
Crystal structure of Acinetobacter baumannii OccAB2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979490 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 150.169, 150.169, 105.224 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.320 - 2.900 |
| R-factor | 0.23951 |
| Rwork | 0.237 |
| R-free | 0.28424 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sys |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.177 |
| 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] | 55.320 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.138 | 0.816 |
| Number of reflections | 15640 | |
| <I/σ(I)> | 10.6 | 2.1 |
| Completeness [%] | 98.4 | 99.8 |
| Redundancy | 7.7 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG 400 0.2 M calcium chloride 0.1 M Tris pH 8.0 |
