4FUV
Crystal Structure of Acinetobacter baumannii CarO
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9784, 0.9788, 0.9184 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 61.526, 120.867, 112.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.110 - 2.151 |
R-factor | 0.2057 |
Rwork | 0.202 |
R-free | 0.24190 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.192 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 22958 | |
<I/σ(I)> | 39.3 | 2.14 |
Completeness [%] | 99.1 | 91.2 |
Redundancy | 6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291.15 | 25% PEG 1000, 0.1M lithium sulfate, 0.1M sodium sulfate, 0.05M sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291.15 | 25% PEG 1000, 0.1M lithium sulfate, 0.1M sodium sulfate, 0.05M sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |