4W7I
Crystal structure of DEH reductase A1-R' mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.215, 178.152, 96.013 |
| Unit cell angles | 90.00, 111.76, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.980 |
| R-factor | 0.23932 |
| Rwork | 0.237 |
| R-free | 0.28618 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tkl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.454 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 77352 | |
| <I/σ(I)> | 35.9 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | PEG 300, cacodylate, calcium acetate |
