6O1B
Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.954 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.737, 54.138, 74.912 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.802 - 1.670 |
R-factor | 0.1896 |
Rwork | 0.185 |
R-free | 0.23080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.222 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.880 | 1.700 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.046 | 0.273 |
Rmeas | 0.050 | 0.295 |
Rpim | 0.019 | 0.111 |
Number of reflections | 16080 | 792 |
<I/σ(I)> | 19.6 | 4.9 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 7.1 | 6.9 |
CC(1/2) | 0.999 | 0.976 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 MES pH 6.0, 0.2 M MgCl2, 20% PEG3350; or 0.1 MES pH 6.0, 1 M LiCl, 20% PEG6000 |