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 |
