1VLJ
Crystal structure of NADH-dependent butanol dehydrogenase A (TM0820) from Thermotoga maritima at 1.78 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-11 |
| Detector | ADSC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.691, 129.699, 55.234 |
| Unit cell angles | 90.00, 103.61, 90.00 |
Refinement procedure
| Resolution | 49.600 - 1.780 |
| R-factor | 0.14475 |
| Rwork | 0.142 |
| R-free | 0.19265 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TM0820 has been phased with EPMR program (500 generations default low and high resolution limits) using a model based on the template 1o2d (TM0920) |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.562 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 65785 | |
| <I/σ(I)> | 21.67 | 1.94 |
| Completeness [%] | 94.0 | 68.72 |
| Redundancy | 2.85 | 1.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 5.7 | 293 | 0.2M NaCl, 0.2% PEG-1000, 0.1M Na,K-Phosphate pH 5.7 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K |
