8D0D
Human SARM1 TIR domain bound to an NB-7-ADPR adduct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2020-07-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 33.138, 86.634, 117.065 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.500 - 1.960 |
R-factor | 0.1859 |
Rwork | 0.182 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8d0j |
RMSD bond length | 0.007 |
RMSD bond angle | 0.828 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.010 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.137 | 1.411 |
Rmeas | 0.148 | 1.534 |
Rpim | 0.056 | 0.597 |
Number of reflections | 25069 | 2450 |
<I/σ(I)> | 14 | 2 |
Completeness [%] | 100.0 | |
Redundancy | 12.8 | |
CC(1/2) | 0.999 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350 |