Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 73.298, 73.298, 196.048 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.060 - 1.828 |
Rwork | 0.181 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6adw |
RMSD bond length | 0.016 |
RMSD bond angle | 1.934 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.060 | 1.940 |
High resolution limit [Å] | 1.828 | 1.830 |
Number of reflections | 48205 | 7581 |
<I/σ(I)> | 2.22 | |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 20 | |
CC(1/2) | 1.000 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis Tris Propane pH 6.5, 0.2 M Sodium acetate trihydrate, 20% w/v PEG 3350, 10% v/v Ethylene glycol |