5MDR
Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi in complex with chitohexaose
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 | 2015-02-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.007270 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 146.552, 121.941, 147.155 |
| Unit cell angles | 90.00, 117.92, 90.00 |
Refinement procedure
| Resolution | 130.020 - 1.900 |
| R-factor | 0.17206 |
| Rwork | 0.172 |
| R-free | 0.18350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mdo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.624 |
| 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] | 130.020 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.682 |
| Rpim | 0.056 | 0.598 |
| Number of reflections | 357447 | |
| <I/σ(I)> | 11 | 1.8 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% (w/v) PEG 400, 0.05 M NaCl, 0.1 M sodium citrate pH 5.5 |
