6L4C
Crystal structure of vicilin from Corylus avellana (Hazelnut)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.000, 91.137, 266.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.123 - 3.191 |
| R-factor | 0.2293 |
| Rwork | 0.227 |
| R-free | 0.28330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lej |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.502 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (1.12) |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.260 |
| High resolution limit [Å] | 3.190 | 3.190 |
| Rmerge | 0.100 | 0.701 |
| Number of reflections | 26851 | 2595 |
| <I/σ(I)> | 24.3 | 2.23 |
| Completeness [%] | 98.4 | 95 |
| Redundancy | 5.5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277.15 | 4% v/v Tacsimate pH 7.0, 5% v/v 2-Propanol, 0.1 M Imidazole pH 7.0, 10% w/v Polyethylene glycol 3350 |
