3QVV
Crystal structure of Ancestral variant b9 of SULT 1A1 in complex with PAP and 3-CyC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-02-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.790, 71.910, 122.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.930 - 2.350 |
| R-factor | 0.23203 |
| Rwork | 0.230 |
| R-free | 0.27611 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ls6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.947 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.730 |
| High resolution limit [Å] | 2.350 |
| Number of reflections | 26722 |
| <I/σ(I)> | 8.83 |
| Completeness [%] | 96.9 |
| Redundancy | 3.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | The protein was concentrated to 33mg.mL-1. Condition: 18-22% (w/v) PEG 3350 and 50mM Tris-HCL buffer pH 8. Crystals appeared after two days at 293 K. , VAPOR DIFFUSION, HANGING DROP |
