5CFR
Crystal structure of anemone STING (Nematostella vectensis) in apo 'unrotated' closed conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2014-10-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.043, 43.037, 170.942 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.740 - 2.850 |
R-factor | 0.2579 |
Rwork | 0.257 |
R-free | 0.27770 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.805 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.040 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.038 | 0.231 |
Number of reflections | 7901 | |
<I/σ(I)> | 12.6 | 3.2 |
Completeness [%] | 99.4 | 97.5 |
Redundancy | 3.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 200 mM CaCl2, 100 mM HEPES-KOH pH 7.5, 28% PEG-400 |