5HD8
Crystal structure of disulfide cross-linked D417C ClC-ec1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 231.740, 96.060, 169.950 |
| Unit cell angles | 90.00, 131.58, 90.00 |
Refinement procedure
| Resolution | 39.200 - 3.150 |
| R-factor | 0.20793 |
| Rwork | 0.205 |
| R-free | 0.25732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ots |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.139 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.200 | 3.230 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.077 | 0.710 |
| Number of reflections | 44041 | |
| <I/σ(I)> | 14.76 | 1.74 |
| Completeness [%] | 90.2 | 80.6 |
| Redundancy | 3.6 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 295 | 30% PEG 400, 0.075M K/Na-tartrate, 0.1M Tris.HCl (pH 9.0) |
