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 |
