1Z29
Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-11-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 58.398, 65.399, 86.517 |
| Unit cell angles | 90.00, 103.69, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.243 |
| Rwork | 0.216 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ls6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.350 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.077 | 0.420 |
| Number of reflections | 12460 | |
| <I/σ(I)> | 21.2 | 3.47 |
| Completeness [%] | 98.9 | 93 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 18% PEG8000, 0.1M Hepes, 0.3M Calcium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
