1BXZ
CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII
Experimental procedure
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-12 |
Detector | FUJI |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.450, 123.080, 168.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.990 |
R-factor | 0.214 * |
Rwork | 0.214 |
R-free | 0.26500 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kev |
RMSD bond length | 0.013 * |
RMSD bond angle | 1.690 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.3C) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.100 |
High resolution limit [Å] | 2.990 | 2.990 |
Rmerge | 0.083 | 0.278 |
Number of reflections | 30323 | |
<I/σ(I)> | 12.1 | 4.5 |
Completeness [%] | 86.3 | 89 |
Redundancy | 4.4 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 5.8 | pH 5.8 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 10 (%) | |
2 | 1 | reservoir | MPD | 5.8 (%(v/v)) | |
3 | 1 | reservoir | sec-butanol | 2.5 (%(v/v)) | |
4 | 1 | reservoir | magnesium acetate | 50 (mM) | |
5 | 1 | reservoir | MES | 0.1 (M) |