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) |
