4NMU
Crystal Structure of Thiol-disulfide Oxidoreductase from Bacillus str. 'Ames Ancestor'
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97897 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.816, 55.166, 62.570 |
| Unit cell angles | 92.27, 90.09, 89.99 |
Refinement procedure
| Resolution | 27.272 - 1.350 |
| R-factor | 0.141 |
| Rwork | 0.137 |
| R-free | 0.17600 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.269 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.370 |
| High resolution limit [Å] | 1.340 | 1.350 |
| Number of reflections | 102076 | |
| <I/σ(I)> | 13.9 | 2.5 |
| Completeness [%] | 94.5 | 75.6 |
| Redundancy | 2.4 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1 M Lithium Chloride, 0.1 M Sodium Acetate, 30 %(w/v) PEG 6000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
