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 | 2021-03-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.772, 86.994, 192.463 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.640 - 1.640 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.343 |
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] | 39.640 | 1.670 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 1.185 | |
Rpim | 0.471 | |
Number of reflections | 65130 | 3146 |
<I/σ(I)> | 14.9 | 1.7 |
Completeness [%] | 99.0 | 97.9 |
Redundancy | 6.8 | 7.2 |
CC(1/2) | 0.998 | 0.844 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293.15 | 0.1M SPG 25% PEG 1500 12% Inosotol 0.2mM DTT 1mM TEW |