8D0C
Human SARM1 TIR domain bound to NB-3-ADPR
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] | 93 |
Detector technology | PIXEL |
Collection date | 2020-05-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.11584 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 87.086, 117.230, 32.865 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.910 - 2.090 |
R-factor | 0.1804 |
Rwork | 0.176 |
R-free | 0.22280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8d0j |
RMSD bond length | 0.007 |
RMSD bond angle | 0.911 |
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] | 117.230 | 2.150 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.165 | 1.054 |
Rmeas | 0.180 | 1.165 |
Rpim | 0.072 | 0.489 |
Number of reflections | 20696 | 2029 |
<I/σ(I)> | 9.3 | 2.1 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 11.3 | 10.3 |
CC(1/2) | 0.997 | 0.741 |
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 |