4JBI
2.35A resolution structure of NADPH bound 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 | 138.133, 169.262, 149.151 |
| Unit cell angles | 90.00, 116.25, 90.00 |
Refinement procedure
| Resolution | 44.589 - 2.350 |
| R-factor | 0.1639 |
| Rwork | 0.161 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jbg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.172 |
| Data scaling software | SCALA (0.1.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1241) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 133.767 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.132 | 0.810 |
| Number of reflections | 254725 | |
| <I/σ(I)> | 8.5 | 1.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 10%(w/v) PEG 8000, 100 mM Hepes, 8% (v/v) ethylene glycol, pH 7.5, vapor diffusion, temperature 293K |
