1K8C
Crystal structure of dimeric xylose reductase in complex with NADP(H)
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 | 2001-01-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.202, 127.809, 80.251 |
| Unit cell angles | 90.00, 90.37, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 * |
| Rwork | 0.213 |
| R-free | 0.23700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo xylose reductase |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.440 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.200 * | 2.200 * |
| Rmerge | 0.074 * | 0.374 * |
| Total number of observations | 325247 * | |
| Number of reflections | 93492 * | |
| Completeness [%] | 99.5 * | 98.7 * |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 293 | PEG 4000, ammonium sulfate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 293K, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 16 (mg/ml) | |
| 2 | 1 | drop | NADPH | 5 (mM) | |
| 3 | 1 | drop | HEPES | 10 (mM) | pH7.4 |
| 4 | 1 | reservoir | PEG5000 MME | 32 (%(w/v)) | |
| 5 | 1 | reservoir | ammonium sulfate | 300 (mM) | |
| 6 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.6 |
