Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-02 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97996 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 66.743, 66.743, 176.785 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 57.802 - 1.420 |
Rwork | 0.174 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6m8z |
RMSD bond length | 0.015 |
RMSD bond angle | 1.985 |
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] | 58.930 | 1.440 |
High resolution limit [Å] | 1.420 | 1.420 |
Rpim | 0.033 | 1.416 |
Number of reflections | 44987 | 2131 |
<I/σ(I)> | 17.5 | 0.8 |
Completeness [%] | 100.0 | 98.9 |
Redundancy | 32.5 | 9.1 |
CC(1/2) | 1.000 | 0.335 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M Ammonium sulfate 0.1 M Bis-Tris pH 5.5 25% (w/v) PEG 3350 |