2GWH
Human Sulfotranferase SULT1C2 in complex with PAP and pentachlorophenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-30 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 135.216, 135.216, 158.072 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.025 - 1.800 |
Rwork | 0.191 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ad1 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.301 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.111 | 0.038 | |
Number of reflections | 67599 | 7076 | 6628 |
<I/σ(I)> | 7.2 | ||
Completeness [%] | 99.9 | ||
Redundancy | 14 | 14.3 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25% PEG-3350, 0.2M lithium sulfate, 0.1M bis-tris, pH 6.5, vapor diffusion, sitting drop, temperature 291K |