Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 67.574, 67.574, 196.846 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.710 - 1.950 |
R-factor | 0.1915 |
Rwork | 0.189 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.848 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.078 | 0.636 |
Number of reflections | 39053 | 2699 |
<I/σ(I)> | 20.3 | 1.9 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 8.8 | 4.5 |
CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | PEG 400, calcium acetate, sodium acetate |