5XTY
Crystal Structure of 11S allergen from Cocos nucifera L.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-05-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979 |
| Spacegroup name | H 3 |
| Unit cell lengths | 92.056, 92.056, 212.309 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.833 - 2.200 |
| R-factor | 0.2202 |
| Rwork | 0.199 |
| R-free | 0.29910 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.099 |
| Data reduction software | XDS (June 1, 2017) |
| Data scaling software | SCALA |
| Phasing software | BALBES (1.1.5) |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.700 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 33993 | 3338 |
| <I/σ(I)> | 8.5 | 0.7 |
| Completeness [%] | 99.7 | 97.45 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES (pH 7.5), 0.2M Mgcl2 and 10% PEG 4000 |
