6V0K

Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain

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	2019-03-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
Spacegroup name	P 3 2 1
Unit cell lengths	188.117, 188.117, 56.412
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	81.460 - 2.410
R-factor	0.1851
Rwork	0.183
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q80
RMSD bond length	0.008
RMSD bond angle	0.941
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.460	2.496
High resolution limit [Å]	2.410	2.410
Rmerge	0.093	0.341
Rpim	0.093	0.341
Number of reflections	44302	4386
<I/σ(I)>	7.01	2.47
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.989	0.496

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	7.5 mg/mL PvCPS, 0.1 M sodium citrate tribasic pH 5.7, 2% Tacsimate pH 5.0, 19% PEG-3350. (1:1)