1R38
Crystal structure of H114A mutant of Candida tenuis xylose reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-06-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.980, 129.089, 79.872 |
| Unit cell angles | 90.00, 90.82, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jez |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.074 | 0.294 |
| Number of reflections | 93679 | |
| <I/σ(I)> | 15.3 | 3.9 |
| Completeness [%] | 99.4 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | PEGME 5000, ammoniun sulfate, citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
