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 | 2021-03-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 171.629, 171.629, 61.334 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 74.320 - 1.850 |
R-factor | 0.1621 |
Rwork | 0.162 |
R-free | 0.17990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.047 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.320 | 1.916 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.215 | |
Rmeas | 0.218 | |
Rpim | 0.040 | 0.592 |
Number of reflections | 88308 | 8759 |
<I/σ(I)> | 13.61 | 1.58 |
Completeness [%] | 98.0 | 92.83 |
Redundancy | 29.7 | 18.3 |
CC(1/2) | 0.999 | 0.623 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 297.15 | 0.1 M Bis-Tris pH 6.4, 0.1 M sodium chloride, 1.75 M ammonium sulfate |