1Q1Q
Crystal structure of human pregnenolone sulfotransferase (SULT2B1a) in the presence of PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-05 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 75.244, 75.244, 252.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.940 - 2.910 |
| R-factor | 0.249 |
| Rwork | 0.249 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1efh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 22.000 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.081 | 0.598 |
| Total number of observations | 105367 * | |
| Number of reflections | 29928 | |
| <I/σ(I)> | 12.1 | 2.1 |
| Completeness [%] | 99.0 | 98.5 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | 0.8M sodium tartrate, 0.2M Li2So4, 0.1M CHES, 4mM PAP, pH 9.0, 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 |
