9WGN
Crystal structure of Orobanche cumana OcKAI2d2 covalently bound to KOK1007
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 78.351, 78.351, 91.639 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.210 - 1.400 |
| R-factor | 0.14717 |
| Rwork | 0.146 |
| R-free | 0.17531 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.639 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.210 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 64078 | 4627 |
| <I/σ(I)> | 32.15 | 0.88 |
| Completeness [%] | 94.1 | 72.66 |
| Redundancy | 17.5 | 9.2 |
| CC(1/2) | 0.750 | 0.491 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1.8 M Magnesium sulfate hydrate, 0.1 M Tris pH 8.5 |
