4P07
Bacterial aryl sulfotransferase (ASST) soaked with human urine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2008-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 182.295, 182.295, 101.592 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.400 - 2.590 |
R-factor | 0.183 |
Rwork | 0.180 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3elq |
RMSD bond length | 0.015 |
RMSD bond angle | 1.806 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.400 | 2.660 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.103 | 1.035 |
Number of reflections | 58584 | |
<I/σ(I)> | 9.8 | 1.7 |
Completeness [%] | 98.2 | 91.4 |
Redundancy | 4.8 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Sitting drop vapor diffusion method by equilibrating 1.5 ?l of protein solution (22 mg/ml, in 20 mM 4-morpholinepropanesulfonic acid/NaOH pH 7.5, 100 mM NaCl) with 0.5 ?l of reservoir solution consisting of 1.8 M Li2SO4 and 100 mM cacodylic acid/NaOH pH 6.5. |