Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.567, 44.380, 72.125 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.798 - 1.500 |
Rwork | 0.184 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.527 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.380 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.093 | 0.879 |
Number of reflections | 18434 | 881 |
<I/σ(I)> | 12.8 | |
Completeness [%] | 100.0 | |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18 % PEG 3350, 0.1 M CAPSO 9.0, 17 % PEG 400, 4.8 % 2-Propanol |