1KV9
Structure at 1.9 A Resolution of a Quinohemoprotein Alcohol Dehydrogenase from Pseudomonas putida HK5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-07-15 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 54.807, 57.437, 67.523 |
Unit cell angles | 89.65, 69.34, 68.39 |
Refinement procedure
Resolution | 30.000 - 1.900 |
Rwork | 0.154 |
R-free | 0.18900 |
Structure solution method | MR + MIR + MAD |
Starting model (for MR) | 4aah |
RMSD bond length | 0.006 |
RMSD bond angle | 1.440 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE (+ SHARP) |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.064 | 0.215 |
Number of reflections | 48672 | |
<I/σ(I)> | 18.2 | 4.2 |
Completeness [%] | 87.1 | 47.3 |
Redundancy | 3.5 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | used microseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7.5 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 14-22 (%) | |
3 | 1 | reservoir | sodium citrate | 150 (mM) | |
4 | 1 | reservoir | HEPES-NaOH | 100 (mM) | pH7.5 |
5 | 1 | reservoir | 2-propanol | 6 (%) |