Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-06 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 1.3776 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 78.847, 78.847, 110.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.277 - 1.900 |
Rwork | 0.195 |
R-free | 0.23220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yqq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.424 |
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] | 64.280 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.106 | |
Number of reflections | 28350 | 1798 |
<I/σ(I)> | 16 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 23.2 | |
CC(1/2) | 1.000 | 0.900 |
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] |