5B12
Crystal structure of the B-type halohydrin hydrogen-halide-lyase mutant F71W/Q125T/D199H from Corynebacterium sp. N-1074
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2012-06-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 120.913, 215.005, 104.864 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.130 - 1.721 |
R-factor | 0.1635 |
Rwork | 0.162 |
R-free | 0.19440 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.964 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10_2152: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.780 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.287 | |
Number of reflections | 143723 | |
<I/σ(I)> | 37.4 | 11.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 12.7 | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG400, ammonium sulfate, 2-propanol, PEPES |