6OP5
Crystal Structure of Piper methysticum Styrylpyrone Synthase 1 in complex with p-coumaroyl-CoA
Replaces: 6CO0Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9793 |
Spacegroup name | P 31 |
Unit cell lengths | 164.402, 164.402, 87.122 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 82.201 - 2.700 |
R-factor | 0.2114 |
Rwork | 0.204 |
R-free | 0.26120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.681 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX (1.14_3260) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.201 | 2.797 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 142832 | 6973 |
<I/σ(I)> | 7.1 | |
Completeness [%] | 98.8 | |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294.15 | 50 mM HEPES pH 7.5, PEG 8000 10% w/v, ethylene glycol 4% v/v |