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 | 2018-10-21 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9159 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 120.433, 120.433, 115.784 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 77.614 - 3.000 |
Rwork | 0.222 |
R-free | 0.26700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4jvc |
RMSD bond length | 0.003 |
RMSD bond angle | 1.302 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.300 | 3.180 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 10259 | 1621 |
<I/σ(I)> | 17.3 | 1.2 |
Completeness [%] | 99.1 | |
Redundancy | 18.6 | |
CC(1/2) | 1.000 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Trisodium Citrate 200 mM Ammonium acetate 4-10% MPD |