8D0I
Human SARM1 bound to an NB-3 eADPR adduct
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 | 2021-01-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.273, 78.797, 116.975 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.400 - 2.000 |
R-factor | 0.1777 |
Rwork | 0.173 |
R-free | 0.21620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8d0j |
RMSD bond length | 0.007 |
RMSD bond angle | 0.776 |
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] | 39.400 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.524 | 0.887 |
Rmeas | 0.565 | 0.957 |
Rpim | 0.209 | 0.357 |
Number of reflections | 20965 | 2066 |
<I/σ(I)> | 4.2 | 2.2 |
Completeness [%] | 97.5 | 98.2 |
Redundancy | 13.3 | 13.4 |
CC(1/2) | 0.927 | 0.826 |
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 |