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 |