6DXE
Crystal structure of chalcone synthase from Arabidopsis thaliana - M64I F170S G173A S213G Q217A T270V C347S mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.800, 55.900, 100.210 |
Unit cell angles | 90.00, 92.51, 90.00 |
Refinement procedure
Resolution | 60.107 - 1.608 |
R-factor | 0.1704 |
Rwork | 0.170 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.258 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.110 | 1.665 |
High resolution limit [Å] | 1.608 | 1.608 |
Rmerge | 0.045 | 0.578 |
Rmeas | 0.055 | 0.701 |
Rpim | 0.031 | 0.392 |
Number of reflections | 175827 | 7995 |
<I/σ(I)> | 11.1 | 1.18 |
Completeness [%] | 91.6 | 76.72 |
Redundancy | 2.9 | 2.8 |
CC(1/2) | 0.999 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.125 NaSCN, 20% (v/v) PEG 3350, and 5 mM DTT |