1SM9
Crystal Structure Of An Engineered K274RN276D Double Mutant of Xylose Reductase From Candida Tenuis Optimized To Utilize NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-11-11 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.740, 128.190, 79.670 |
| Unit cell angles | 90.00, 90.43, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.24000 |
| Structure solution method | isomorphous |
| Starting model (for MR) | wild-type structure of xylose reductase from candida tenuis bound to nad pdb entry 1MI3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.628 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.084 | 0.358 |
| Number of reflections | 91362 | |
| <I/σ(I)> | 12.51 | 2.8 |
| Completeness [%] | 99.4 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | ammonium sulfate, sodium acetate, sodium citrate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
