8YUF
Crystal structure of HEPN (Q64A) toxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-02-18 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.02 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.774, 43.772, 163.302 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.280 - 1.590 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 0.843 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.770 | 1.690 |
High resolution limit [Å] | 1.590 | 1.590 |
Number of reflections | 67303 | 8590 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 83.0 | |
Redundancy | 4.06 | |
CC(1/2) | 0.997 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Lithium acetate dehydrate, 20% PEG 3350 |