4MEA
Crystal structure of the Cif epoxide hydrolase from Acinetobacter nosocomialis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.688, 42.584, 86.470 |
Unit cell angles | 90.00, 98.10, 90.00 |
Refinement procedure
Resolution | 42.417 - 1.950 |
R-factor | 0.1476 |
Rwork | 0.146 |
R-free | 0.18610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kd2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.028 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 42.420 |
High resolution limit [Å] | 1.950 |
Number of reflections | 45537 |
Completeness [%] | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | 100 mM monopotassium phosphate, 100 mM sodium citrate, 20% PEG 4000, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |