5MDS
Crystal structure of outer membrane expressed Chitoporin VhChip from Vibrio harveyi in complex with chitotetraose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979490 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 250.010, 145.047, 55.158 |
| Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
| Resolution | 125.350 - 2.600 |
| R-factor | 0.22201 |
| Rwork | 0.221 |
| R-free | 0.24749 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mdo |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.085 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.350 | 2.680 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.090 | 0.777 |
| Rpim | 0.081 | 0.699 |
| Number of reflections | 56059 | |
| <I/σ(I)> | 8.4 | 1.1 |
| Completeness [%] | 93.4 | 95.1 |
| Redundancy | 2.9 | 2.9 |
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 |
