1KB0
Crystal Structure of Quinohemoprotein Alcohol Dehydrogenase from Comamonas testosteroni
Experimental procedure
Experimental method | OSCILLATION |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1998-09-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.9076 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 97.920, 74.331, 92.332 |
Unit cell angles | 90.00, 105.67, 90.00 |
Refinement procedure
Resolution | 50.000 * - 1.440 |
R-factor | 0.16 |
Rwork | 0.160 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1EEE (now known as 1FLG) |
RMSD bond length | 0.018 |
RMSD bond angle | 2.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.460 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.057 | 0.340 |
Number of reflections | 111086 | |
<I/σ(I)> | 16 | 2 |
Completeness [%] | 96.2 | 87.7 |
Redundancy | 2.2 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 277 | Oubrie, A., (2001) ACTA CRYSTALLOGR.,SECT.D, 57, 1732. * |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 277 | Oubrie, A., (2001) ACTA CRYSTALLOGR.,SECT.D, 57, 1732. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5-8 (mg/ml) | |
2 | 1 | reservoir | PEG6000 | 17-20 (%(w/v)) | |
3 | 1 | reservoir | EDTA | 0-4 (mM) | |
4 | 1 | reservoir | MES | 100 (mM) | pH5.5-5.7 |