8D0G
Human SARM1 TIR domain bound to NB-3-ADPRP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2021-01-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 86.953, 117.429, 33.271 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.690 - 1.990 |
R-factor | 0.1927 |
Rwork | 0.189 |
R-free | 0.23780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8d0j |
RMSD bond length | 0.007 |
RMSD bond angle | 0.849 |
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] | 39.140 | 2.040 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.252 | 2.039 |
Rmeas | 0.272 | 2.220 |
Rpim | 0.103 | 0.869 |
Number of reflections | 24195 | 2388 |
<I/σ(I)> | 10.4 | 2.9 |
Completeness [%] | 99.6 | 97.9 |
Redundancy | 12.9 | 12.1 |
CC(1/2) | 0.995 | 0.841 |
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 |