6DX8
Crystal structure of chalcone synthase from Selaginella moellendorffii
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 | CCD |
| Collection date | 2015-03-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.170, 66.670, 102.550 |
| Unit cell angles | 90.00, 91.35, 90.00 |
Refinement procedure
| Resolution | 39.009 - 1.700 |
| R-factor | 0.1923 |
| Rwork | 0.191 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.313 |
| 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] | 39.010 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.143 | |
| Rmeas | 0.157 | |
| Rpim | 0.064 | 0.510 |
| Number of reflections | 145478 | 6434 |
| <I/σ(I)> | 12.32 | |
| Completeness [%] | 90.6 | 79.18 |
| Redundancy | 6 | 6.2 |
| CC(1/2) | 0.995 | 0.822 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 0.1 M MOPSO (pH 6.6), 0.3 M Mg(NO3)2, 19% (v/v) PEG 4000, and 5 mM DTT |
