1Z28
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 | SYNCHROTRON |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-12-11 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.888 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.240, 122.530, 43.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.216 |
| Rwork | 0.193 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ls6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.260 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.116 | 0.312 |
| Number of reflections | 17608 | |
| <I/σ(I)> | 10 | 3 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 280 | 14.75% PEG 4000, 0.1M Mes, 20mM calcium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K |
