8D0F
Human SARM1 TIR domain bound to NB-2-ADPR
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 | 2021-05-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.940, 86.363, 115.757 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.080 - 1.740 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.25310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8d0j |
RMSD bond length | 0.006 |
RMSD bond angle | 0.927 |
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] | 48.080 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.135 | 1.364 |
Rmeas | 0.147 | 1.482 |
Rpim | 0.040 | 0.415 |
Number of reflections | 34455 | 3371 |
<I/σ(I)> | 13 | 13 |
Completeness [%] | 99.0 | |
Redundancy | 13 | |
CC(1/2) | 0.999 | 0.776 |
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 |