Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-11-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.980000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.627, 90.627, 122.181 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.395 - 1.700 |
R-factor | 0.1465 |
Rwork | 0.146 |
R-free | 0.16450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.248 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.400 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.073 | |
Number of reflections | 63419 | 5673 |
<I/σ(I)> | 17.99 | |
Completeness [%] | 98.6 | |
Redundancy | 8.8 | |
CC(1/2) | 0.999 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Sodium acetate (pH 4.8), Ammonium sulfate, Glycerol |