5WPW
Crystal structure of coconut allergen cocosin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | H 3 |
| Unit cell lengths | 92.410, 92.410, 212.850 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.947 - 1.847 |
| R-factor | 0.2321 |
| Rwork | 0.229 |
| R-free | 0.29170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c3v |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2481: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.847 | 1.850 |
| Number of reflections | 55347 | |
| <I/σ(I)> | 12.2 | 2.05 |
| Completeness [%] | 95.1 | 92.7 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.998 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 288 | 0.7M NaCl |
