1F8F
CRYSTAL STRUCTURE OF BENZYL ALCOHOL DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX7.2 |
Synchrotron site | SRS |
Beamline | PX7.2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-02-05 |
Detector | MARRESEARCH |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 82.294, 96.985, 103.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.26300 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.072 | 0.265 |
Number of reflections | 20575 | |
<I/σ(I)> | 17.05 | |
Completeness [%] | 95.9 | 94.9 |
Redundancy | 4.2 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | PEG-MME2000, lithium sulphate, 2,3,4,5,6-pentafluorobenzyl alcohol, sodium acetate, zinc chloride, EDTA, NADH, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |