4JBH
2.2A resolution structure of cobalt and zinc 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) | 1.60497 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.402, 125.336, 82.943 |
| Unit cell angles | 90.00, 107.12, 90.00 |
Refinement procedure
| Resolution | 49.160 - 2.200 |
| R-factor | 0.1533 |
| Rwork | 0.151 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jbg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.032 |
| Data scaling software | SCALA (0.1.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1259) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.266 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.067 | 0.510 |
| <I/σ(I)> | 13.1 | 3.6 |
| Completeness [%] | 95.6 | 73.5 |
| Redundancy | 6.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 25%(w/v) PEG 1500, PCB Buffer , pH 7.0, VAPOR DIFFUSION, temperature 293K |
