5MDO
Crystal structure of in vitro folded Chitoporin VhChip from Vibrio harveyi (crystal form I)
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 | 2015-01-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979490 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 146.884, 123.379, 147.026 |
| Unit cell angles | 90.00, 117.89, 90.00 |
Refinement procedure
| Resolution | 129.940 - 1.950 |
| R-factor | 0.16726 |
| Rwork | 0.167 |
| R-free | 0.18670 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.859 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.970 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.072 | 0.854 |
| Rpim | 0.046 | 0.543 |
| Number of reflections | 336423 | |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 6.7 |
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 |
