3ZDR
Structure of the Alcohol dehydrogenase (ADH) domain of a bifunctional ADHE dehydrogenase from Geobacillus thermoglucosidasius NCIMB 11955
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-30 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 73.721, 96.588, 58.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.294 - 2.504 |
R-factor | 0.1774 |
Rwork | 0.174 |
R-free | 0.23960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rrm |
RMSD bond length | 0.004 |
RMSD bond angle | 0.713 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.290 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.090 | 0.390 |
Number of reflections | 13897 | |
<I/σ(I)> | 14.7 | 2.1 |
Completeness [%] | 93.5 | 77 |
Redundancy | 6.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 0.1 M SODIUM ACETATE PH 5.0, 0.1 M AMMONIUM SULPHATE, 0.3 M SODIUM FORMATE, 11.5% (V/V) PEG2K MME, AND 3-3.5% (V/V) PGA-LM (30% GLYCEROL CRYOPROTECTANT) |