7S2Z
Crystal structure of the E100A mutant TIR domain from the grapevine disease resistance protein RUN1 bound to NAD
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 | 2018-07-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 79.743, 116.644, 122.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.080 - 2.350 |
R-factor | 0.2196 |
Rwork | 0.218 |
R-free | 0.25470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o0w |
RMSD bond length | 0.003 |
RMSD bond angle | 0.563 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.080 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.103 | 0.753 |
Rmeas | 0.810 | |
Number of reflections | 48034 | 4263 |
<I/σ(I)> | 13.1 | 2.5 |
Completeness [%] | 99.8 | 98.3 |
Redundancy | 7.3 | 7.3 |
CC(1/2) | 0.999 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 293 | 2 M ammonium sulfate 0.1 M TrisBase pH 8.75 |