3ISO
Crystal structure of 26 kDa GST of Clonorchis sinensis in P3221 symmetry
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 96.390, 96.390, 115.428 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m9a |
RMSD bond length | 0.030 |
RMSD bond angle | 2.187 |
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] | 83.480 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.058 | 0.031 | 0.130 |
Number of reflections | 49299 | ||
<I/σ(I)> | 20 | ||
Completeness [%] | 99.9 | 99.1 | 100 |
Redundancy | 10.5 | 10.5 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris pH8.5, 2.0M Ammonium sulfate, 5mM Zinc sulfate, vapor diffusion, hanging drop, temperature 293K |