4L5L
Crystal structure of 26 kDa GST of Clonorchis sinensis in P212121 symmetry
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.23985 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.272, 67.455, 120.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.240 - 2.200 |
R-factor | 0.18035 |
Rwork | 0.177 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.778 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.300 | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.052 | 0.037 | 0.172 |
Number of reflections | 27909 | ||
<I/σ(I)> | 19.1 | ||
Completeness [%] | 99.0 | 97.7 | 98.5 |
Redundancy | 5.4 | 5.8 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M MES pH6.5, 5mM Zinc sulfate, 10% PEG MME 550, VAPOR DIFFUSION, HANGING DROP, temperature 293K |