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 |
