1Q20
Crystal Structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of PAP and pregnenolone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 75.962, 75.962, 253.623 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.960 - 2.300 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1q |
| RMSD bond length | 0.011 |
| RMSD bond angle | 21.900 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.058 * | 0.312 * |
| Total number of observations | 174703 * | |
| Number of reflections | 32282 | |
| <I/σ(I)> | 14.3 | 3.2 |
| Completeness [%] | 95.4 | 78.4 |
| Redundancy | 5.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | sodium citrate, 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 |
