1LS6
Human SULT1A1 complexed with PAP and p-Nitrophenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 290 |
Detector technology | IMAGE PLATE |
Collection date | 2001-07-31 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.800, 124.010, 44.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 1.900 |
R-factor | 0.191 |
Rwork | 0.181 |
R-free | 0.20500 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 1AQU |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 * |
Data reduction software | Crystal (Clear 1.3) |
Data scaling software | CrystalClear (V. 1.3 (MSC/RIGAKU)) |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.890 | 2.020 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.041 * | 0.220 * |
Total number of observations | 82261 * | |
Number of reflections | 31483 | |
<I/σ(I)> | 8.6 | 2.4 |
Completeness [%] | 91.4 * | 63.8 * |
Redundancy | 2.6 | 1.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 20 * | 20% PEG 4000, 0.1M Tris, 10 mM DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | PAP | 45 (mM) | |
2 | 1 | drop | pNP | 5 (mM) | |
3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.0 |
4 | 1 | reservoir | PEG4000 | 20 (%) |