3D3W
Structure of L-Xylulose Reductase with bound coenzyme, phosphate and hydroxide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-12-31 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.678, 87.476, 72.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.870 |
| R-factor | 0.20678 |
| Rwork | 0.204 |
| R-free | 0.25773 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.663 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.063 | |
| Number of reflections | 37468 | |
| <I/σ(I)> | 12.6 | 2.5 |
| Completeness [%] | 98.1 | |
| Redundancy | 5.04 | 5.64 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | PEG8000, POTASSIUM DIHYDROGENPHOSPHATE, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K |
