1VJ0
Crystal structure of Alcohol dehydrogenase (TM0436) from Thermotoga maritima at 2.00 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-12 |
Detector | ADSC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.880, 104.919, 161.617 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.530 - 2.000 |
R-factor | 0.14637 |
Rwork | 0.145 |
R-free | 0.19390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.591 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (4.2)) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.860 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 106273 | |
<I/σ(I)> | 11.4 | 3.1 |
Completeness [%] | 99.2 | 94.3 |
Redundancy | 3.7 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 293 | 8.5 Bicine 35 PEG-400 10 Glycerol 5 PEG-3000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K |