7NAJ
Crystal structure of the TIR domain from human SARM1 in complex with ara-2'F-ADPR
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 | 2021-06-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.511, 117.063, 33.043 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.500 - 1.600 |
R-factor | 0.2014 |
Rwork | 0.200 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o0r |
RMSD bond length | 0.009 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.300 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.077 | 2.087 |
Rmeas | 0.084 | 2.272 |
Rpim | 0.032 | 0.887 |
Number of reflections | 44590 | 2147 |
<I/σ(I)> | 9.9 | 0.9 |
Completeness [%] | 99.9 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.578 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350 |