Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96871 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 66.859, 66.859, 179.688 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 57.902 - 1.210 |
Rwork | 0.132 |
R-free | 0.15470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6m8z |
RMSD bond length | 0.017 |
RMSD bond angle | 1.933 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.900 | 1.230 |
High resolution limit [Å] | 1.210 | 1.210 |
Rpim | 0.028 | 0.969 |
Number of reflections | 73359 | 3558 |
<I/σ(I)> | 16.1 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 18.1 | 9.6 |
CC(1/2) | 0.999 | 0.447 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1 M Bicine pH 9.0 10% (w/v) PEG 20 000 2% (w/v) 1,4-dioxane |