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 | 2022-12-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95374 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 79.276, 42.969, 121.768 |
Unit cell angles | 90.00, 101.56, 90.00 |
Refinement procedure
Resolution | 43.300 - 2.300 |
R-factor | 0.2064 |
Rwork | 0.203 |
R-free | 0.26550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.916 |
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] | 43.300 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.165 | |
Rpim | 0.074 | |
Number of reflections | 69946 | 6937 |
<I/σ(I)> | 7 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 1.9 | |
CC(1/2) | 0.712 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Ammonium sulfate, Hepes, PEG 8000, MPD |