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 |