8D0H
Human SARM1 TIR domain bound to NB-3-GDPR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2021-02-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.048, 77.707, 116.227 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.540 - 2.370 |
R-factor | 0.2015 |
Rwork | 0.193 |
R-free | 0.28050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8d0j |
RMSD bond length | 0.010 |
RMSD bond angle | 0.996 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.365 | 1.880 |
Rmeas | 0.381 | 1.979 |
Rpim | 0.108 | 0.605 |
Number of reflections | 11584 | 708 |
<I/σ(I)> | 7.5 | 1.6 |
Completeness [%] | 96.7 | 98.5 |
Redundancy | 11.9 | 10.4 |
CC(1/2) | 0.969 | 0.611 |
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 |