3U3K
Crystal structure of hSULT1A1 bound to PAP and 2-Naphtol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-11-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.176, 81.273, 121.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.000 - 2.360 |
R-factor | 0.217 |
Rwork | 0.214 |
R-free | 0.27050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ls6 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.675 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.000 | 22.000 | 2.400 |
High resolution limit [Å] | 2.360 | 6.360 | 2.360 |
Rmerge | 0.089 | 0.048 | 0.462 |
Number of reflections | 28872 | ||
<I/σ(I)> | 11.1 | ||
Completeness [%] | 94.8 | 99.3 | 57.4 |
Redundancy | 5.5 | 5.4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | Tris, Polyethylene glycol 3.350, pH 8.5, VAPOR DIFFUSION, temperature 293K |