1Q22
Crystal structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of DHEA and PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-07-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 75.859, 75.859, 253.807 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.670 - 2.500 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SULT2B1b with PAP and pregnenolone bound PDB entry 1Q20 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 21.800 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.119 * | 0.377 * |
| Total number of observations | 141095 * | |
| Number of reflections | 25505 | |
| <I/σ(I)> | 25.9 | 3.5 |
| Completeness [%] | 96.0 | 86.8 |
| Redundancy | 5.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | sodium citrate and imidizole, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | Tris | 25 (mM) | pH7.5 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | reservoir | sodium tartrate | 0.8-1.0 (M) | |
| 5 | 1 | reservoir | 0.2 (M) | ||
| 6 | 1 | reservoir | CHES | 0.1 (M) | pH9.0 |
