8WKH
Crystal structure of group 13 allergen from Blomia tropicalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 61.332, 46.752, 47.331 |
| Unit cell angles | 90.00, 96.12, 90.00 |
Refinement procedure
| Resolution | 30.490 - 2.000 |
| R-factor | 0.1774 |
| Rwork | 0.175 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.493 |
| Rpim | 0.042 | |
| Number of reflections | 8802 | 420 |
| <I/σ(I)> | 35.9 | 4 |
| Completeness [%] | 96.1 | 88.2 |
| Redundancy | 5.2 | 3.5 |
| CC(1/2) | 0.990 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M HEPES, pH7.5 and 25% PEG 3350 |
