2B83
A single amino acid substitution in the Clostridium beijerinckii alcohol dehydrogenase is critical for thermostabilization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.470, 103.340, 193.307 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.530 - 2.250 |
| R-factor | 0.229 |
| Rwork | 0.193 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jqb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.079 | 0.373 |
| Number of reflections | 75865 | |
| <I/σ(I)> | 17.5 | 4 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 298 | 5% PEG 100; 30% PEG600; 10% Glycerol; MES 0.1M, Microbatch, temperature 298K |
