4ZD6
Halohydrin hydrogen-halide-lyase, HheB
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] | 100 |
Detector technology | CCD |
Collection date | 2006-05-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 121.484, 216.380, 104.517 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.310 - 1.600 |
R-factor | 0.1766 |
Rwork | 0.175 |
R-free | 0.20650 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.791 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX ((1.10-2152-000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.058 | 0.271 |
Number of reflections | 158218 | |
<I/σ(I)> | 21.7 | 3.86 |
Completeness [%] | 87.8 | 97.7 |
Redundancy | 4.1 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | polyethylene glycol 4000, magnesium chloride, calcium chloride |