8PEH
Crystal structure of Lotus japonicus SYMRK kinase domain D738N
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-11 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 144.870, 77.960, 101.400 |
Unit cell angles | 90.00, 90.15, 90.00 |
Refinement procedure
Resolution | 41.590 - 1.950 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.779 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.590 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.123 | 1.567 |
Rmeas | 0.133 | 1.695 |
Rpim | 0.050 | 0.638 |
Number of reflections | 80272 | 7828 |
<I/σ(I)> | 9.16 | 1.31 |
Completeness [%] | 97.4 | 95.95 |
Redundancy | 6.9 | 6.9 |
CC(1/2) | 0.997 | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M TRIS pH 8.5 1.26 M ammonium sulphate |