1XJB
Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H), citrate and acetate molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-02-24 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 143.120, 143.120, 204.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.170 - 1.900 |
| R-factor | 0.17486 |
| Rwork | 0.174 |
| R-free | 0.19855 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j96 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.027 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.170 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.085 | 0.375 |
| Number of reflections | 56866 | |
| <I/σ(I)> | 17.8 | 3.4 |
| Completeness [%] | 88.9 | |
| Redundancy | 4.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.7 | 293 | Sodium citrate, PEG4000, Lithium sulfate, pH 5.7, VAPOR DIFFUSION, temperature 293K |
