5B7C
Crystal structure of octopus S-crystallin Q108F mutant in complex with glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 114.322, 114.322, 63.927 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.350 |
R-factor | 0.19517 |
Rwork | 0.192 |
R-free | 0.24992 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | simulated model for S-crystallin |
RMSD bond length | 0.009 |
RMSD bond angle | 1.272 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.164 | 0.532 |
Number of reflections | 10705 | |
<I/σ(I)> | 13.3 | 4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.1 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 295 | 0.5% PEG8000, 0.1 M HEPES, 1.65 M ammonium sulfate |