6O0Q
Crystal structure of the TIR domain from human SARM1 in complex with ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.986, 86.019, 116.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.280 - 1.800 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.009 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((DEV_3357: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.330 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.081 | 0.794 |
Rmeas | 0.088 | 0.843 |
Rpim | 0.031 | 0.299 |
Number of reflections | 31114 | 1803 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 98.0 | 95.2 |
Redundancy | 7.6 | 13.1 |
CC(1/2) | 0.999 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis Tris propane pH 6.5, 0.2 M potassium thiocyanate, 11% PEG3350 |