1YE4
Crystal structure of the Lys-274 to Arg mutant of Candida tenuis xylose reductase (AKR2B5) bound to NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-05-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.953695 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.827, 128.666, 80.101 |
| Unit cell angles | 90.00, 90.11, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.25600 |
| Structure solution method | isomourphous |
| Starting model (for MR) | 1mi3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.292 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.257 |
| Number of reflections | 69609 | |
| <I/σ(I)> | 10.61 | 3.21 |
| Completeness [%] | 96.2 | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | Ammonium sulfate, sodium citrate, , pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
