Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95364 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 61.725, 24.451, 300.191 |
Unit cell angles | 90.00, 93.19, 90.00 |
Refinement procedure
Resolution | 44.220 - 2.490 |
R-factor | 0.2096 |
Rwork | 0.207 |
R-free | 0.24790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.470 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.220 | 2.590 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.170 | |
Rmeas | 0.192 | |
Rpim | 0.088 | 0.496 |
Number of reflections | 16351 | 1703 |
<I/σ(I)> | 7.1 | 1.8 |
Completeness [%] | 99.2 | 94.5 |
Redundancy | 4.6 | |
CC(1/2) | 0.989 | 0.557 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.2 M Calcium Acetate Hydrate, 0.1 M Sodium Cacodylate:HCl pH 6.5, 40% (v/v) PEG 300 |