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 | 119.788, 119.788, 116.499 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 77.470 - 2.650 |
Rwork | 0.232 |
R-free | 0.26060 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4jvc |
RMSD bond length | 0.004 |
RMSD bond angle | 1.320 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.590 | 2.780 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 14874 | 19002 |
<I/σ(I)> | 10.7 | 2 |
Completeness [%] | 99.9 | |
Redundancy | 9.3 | |
CC(1/2) | 0.806 | 0.676 |
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 |