Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00001 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.792, 74.768, 68.609 |
Unit cell angles | 90.00, 102.69, 90.00 |
Refinement procedure
Resolution | 49.920 - 1.410 |
R-factor | 0.15806 |
Rwork | 0.157 |
R-free | 0.18319 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.527 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.920 | 1.530 |
High resolution limit [Å] | 1.410 | 1.410 |
Rmeas | 0.063 | 0.676 |
Number of reflections | 75180 | 3759 |
<I/σ(I)> | 8.2 | 1.8 |
Completeness [%] | 86.1 | 34.7 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.35M KSCN 28% PEG 3350 |