6DXA
Crystal structure of chalcone synthase from Pinus sylvestris
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 | 2014-11-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.017, 100.059, 65.882 |
| Unit cell angles | 90.00, 110.81, 90.00 |
Refinement procedure
| Resolution | 61.585 - 2.010 |
| R-factor | 0.1607 |
| Rwork | 0.158 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.297 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.585 | 2.082 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.142 | 0.617 |
| Rmeas | 0.168 | 0.758 |
| Rpim | 0.088 | 0.436 |
| Number of reflections | 46489 | 4596 |
| <I/σ(I)> | 10.4 | 2.62 |
| Completeness [%] | 99.3 | 98.75 |
| Redundancy | 3.6 | 2.9 |
| CC(1/2) | 0.979 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.14 M NH4Cl, 20% (v/v) PEG 3350, and 5 mM DTT |
