Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.607, 90.783, 75.378 |
Unit cell angles | 90.00, 92.00, 90.00 |
Refinement procedure
Resolution | 75.330 - 1.300 |
R-factor | 0.17917 |
Rwork | 0.178 |
R-free | 0.19767 |
Structure solution method | SAD |
RMSD bond length | 0.032 |
RMSD bond angle | 2.677 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.330 | 1.330 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 164237 | |
<I/σ(I)> | 19.9 | |
Completeness [%] | 97.9 | 96.1 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 100 mM HEPES-Na pH 7.0, 1.0 M lithium sulphate |