6OP5

Crystal Structure of Piper methysticum Styrylpyrone Synthase 1 in complex with p-coumaroyl-CoA

Replaces:  6CO0

Experimental 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