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 | 2021-02-17 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 66.230, 139.042, 109.651 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.865 - 1.600 |
Rwork | 0.157 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yqq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.470 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 63680 | 4624 |
<I/σ(I)> | 15 | |
Completeness [%] | 100.0 | |
Redundancy | 10.3 | |
CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | Bis-Tris Propane [20mM] pH7.0, Glycerol [20%], PEG 8000 [16%], Monopotassium phosphate [40mM] |