1LS6
Human SULT1A1 complexed with PAP and p-Nitrophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-07-31 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.800, 124.010, 44.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.900 |
| R-factor | 0.191 |
| Rwork | 0.181 |
| R-free | 0.20500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1AQU |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 * |
| Data reduction software | Crystal (Clear 1.3) |
| Data scaling software | CrystalClear (V. 1.3 (MSC/RIGAKU)) |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.890 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.041 * | 0.220 * |
| Total number of observations | 82261 * | |
| Number of reflections | 31483 | |
| <I/σ(I)> | 8.6 | 2.4 |
| Completeness [%] | 91.4 * | 63.8 * |
| Redundancy | 2.6 | 1.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 20 * | 20% PEG 4000, 0.1M Tris, 10 mM DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PAP | 45 (mM) | |
| 2 | 1 | drop | pNP | 5 (mM) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.0 |
| 4 | 1 | reservoir | PEG4000 | 20 (%) |
