5MDP
Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi (crystal form II)
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 | 2015-01-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979490 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 254.761, 147.031, 53.759 |
| Unit cell angles | 90.00, 95.51, 90.00 |
Refinement procedure
| Resolution | 127.200 - 3.080 |
| R-factor | 0.2181 |
| Rwork | 0.217 |
| R-free | 0.23977 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mdo |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.170 |
| 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] | 29.210 | 3.230 |
| High resolution limit [Å] | 3.080 | 3.080 |
| Rmerge | 0.108 | 0.410 |
| Rpim | 0.100 | 0.385 |
| Number of reflections | 34933 | |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 95.7 | 38.5 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28% (w/v) PEG 400, 0.5 M potassium iodide, 0.1 M Tris pH 8.5 |
