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 | 2024-10-30 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.012 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 92.498, 92.498, 105.120 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.110 - 2.130 |
R-factor | 0.16841 |
Rwork | 0.166 |
R-free | 0.20557 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.684 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.110 | 2.170 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.146 | 0.982 |
Rmeas | 0.159 | 1.077 |
Rpim | 0.060 | 0.429 |
Number of reflections | 29428 | 1440 |
<I/σ(I)> | 7.8 | 1.7 |
Completeness [%] | 99.5 | |
Redundancy | 6.7 | |
CC(1/2) | 0.993 | 0.527 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.08 M MES-NaOH pH 6.0, 16%(w/v) PEG6000, and 0.16 M NaCl |