1FMC
7-ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEX WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1995-04-23 |
| Detector | WEISSENBERG |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 81.650, 81.650, 214.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.800 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.25200 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 27.600 * |
| 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] | 76.700 | |
| High resolution limit [Å] | 1.800 | |
| Rmerge | 0.085 | 0.397 * |
| Total number of observations | 221323 * | |
| Number of reflections | 57290 | |
| Completeness [%] | 84.0 | 66.1 * |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 293 * | drop solution was prepared by mixing the protein, reservoir and detergent solutions, buffered by 100mM Tris, at the ratio of 4:3:1. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | NAD+ | 4 (mg/ml) | |
| 3 | 1 | reservoir | PEG6000 | 28 (%(w/v)) | |
| 4 | 1 | reservoir | sodium acetate | 200 (mM) | |
| 5 | 1 | reservoir | beta-octylglucoside | 0.8 (%(w/v)) |
