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 |