6B50
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, T157S Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 140.188, 39.401, 53.816 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.816 - 1.870 |
R-factor | 0.1972 |
Rwork | 0.194 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5byk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.202 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 140.190 | 1.970 |
High resolution limit [Å] | 1.870 | 1.870 |
Rpim | 0.046 | 0.442 |
Number of reflections | 25205 | 3574 |
<I/σ(I)> | 15.3 | 2 |
Completeness [%] | 99.0 | 98 |
Redundancy | 7 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1.0 M sodium citrate, 0.1 M sodium cacodylate, pH 6.5 |