5DL7
Crystal structure of Acinetobacter baumannii OccAB3
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 | 2013-09-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979500 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.563, 125.717, 137.459 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.140 - 1.750 |
| R-factor | 0.16875 |
| Rwork | 0.168 |
| R-free | 0.19144 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sys |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.949 |
| 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] | 70.140 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.048 | 0.586 |
| Number of reflections | 71286 | |
| <I/σ(I)> | 20 | 2.9 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% PEG 400 0.2 M calcium chloride 0.1 M Tris pH 8.0 |
