7NAH
Crystal structure of the TIR domain from human SARM1 in complex with 2AD
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 | 2020-11-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 86.235, 116.569, 32.914 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.120 - 1.790 |
R-factor | 0.1702 |
Rwork | 0.168 |
R-free | 0.19940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o0r |
RMSD bond length | 0.010 |
RMSD bond angle | 1.074 |
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] | 48.290 | 1.830 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.074 | 0.413 |
Rmeas | 0.080 | 0.446 |
Rpim | 0.031 | 0.169 |
Number of reflections | 32174 | 1854 |
<I/σ(I)> | 12.8 | 3.1 |
Completeness [%] | 99.9 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.944 |
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 |