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 | 2022-10-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | H 3 |
Unit cell lengths | 122.520, 122.520, 119.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.510 - 2.040 |
R-factor | 0.1674 |
Rwork | 0.167 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.638 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.510 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.059 | 1.231 |
Rmeas | 0.062 | 1.286 |
Rpim | 0.018 | 0.370 |
Number of reflections | 42695 | 4254 |
<I/σ(I)> | 22.19 | 1.83 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12 | 12.1 |
CC(1/2) | 1.000 | 0.803 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium acetate, pH4.5-pH4.9, 24-30% w/v PEG 4000, 15% v/v glycerol |