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 |