7S0A

Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, H786A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 3 2 1
Unit cell lengths	189.987, 189.987, 56.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.270 - 2.800
R-factor	0.1946
Rwork	0.191
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v0k
RMSD bond length	0.009
RMSD bond angle	1.002
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.990	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	281047	39267
<I/σ(I)>	6.6	2.1
Completeness [%]	100.0
Redundancy	9.6
CC(1/2)	0.970	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M sodium citrate pH 5.6 0.1 M sodium citrate tribasic dihydrate 2.5% tacsimate pH 5.0 17% PEG 3350 0.05 M MgCl2