4JBG
1.75A resolution structure of a thermostable alcohol dehydrogenase from Pyrobaculum aerophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-01-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.509, 126.450, 84.055 |
| Unit cell angles | 90.00, 108.49, 90.00 |
Refinement procedure
| Resolution | 43.990 - 1.750 |
| R-factor | 0.1526 |
| Rwork | 0.151 |
| R-free | 0.17420 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.009 |
| Data scaling software | SCALA (0.1.27) |
| Phasing software | SHELX |
| Refinement software | PHENIX (dev_1241) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.715 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.086 | 0.718 |
| Number of reflections | 136008 | |
| <I/σ(I)> | 14.3 | 2.8 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 20% (w/v) PEG-1000, 100 mM Tris, pH 8.5, vapor diffusion, temperature 293K |
