5MDQ
Crystal structure of outer membrane expressed Chitoporin VhChip from Vibrio harveyi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 255.730, 148.639, 54.364 |
| Unit cell angles | 90.00, 94.94, 90.00 |
Refinement procedure
| Resolution | 128.390 - 2.500 |
| R-factor | 0.23048 |
| Rwork | 0.230 |
| R-free | 0.24093 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mdo |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.923 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.150 | |
| High resolution limit [Å] | 2.500 | |
| Rmerge | 0.086 | 0.636 |
| Rpim | 0.078 | 0.580 |
| Number of reflections | 66687 | |
| <I/σ(I)> | 12.2 | 2.1 |
| Completeness [%] | 95.5 | 97.5 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28% (w/v) PEG 400, 0.2 M sodium acetate, 0.1 M MES pH 6.5 |
