1CYD
CARBONYL REDUCTASE COMPLEXED WITH NADPH AND 2-PROPANOL
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 277 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1994-03-03 |
| Detector | WEISSENBERG |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.730, 105.500, 60.870 |
| Unit cell angles | 90.00, 91.43, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.154 |
| Rwork | 0.154 |
| R-free | 0.20200 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.515 |
| Data reduction software | WEIS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.000 * | |
| High resolution limit [Å] | 1.800 | 1.800 * |
| Rmerge | 0.063 | |
| Total number of observations | 224849 * | |
| Number of reflections | 67478 | |
| Completeness [%] | 72.4 | 49.7 * |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MLCR | 10 (mg/ml) | |
| 2 | 1 | drop | 200 (mM) | ||
| 3 | 1 | drop | NADPH | 2 (mg/ml) | |
| 4 | 1 | drop | Tris | 20 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 17 (%(w/v)) | |
| 6 | 1 | reservoir | 200 (mM) | ||
| 7 | 1 | reservoir | 2-propanol | 9 (%(v/v)) | |
| 8 | 1 | reservoir | HEPES | 100 (mM) |
