7S0H

Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723Y

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	PIXEL
Collection date	2021-07-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 3 2 1
Unit cell lengths	188.534, 188.534, 56.442
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	81.640 - 3.150
R-factor	0.191
Rwork	0.186
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v0k
RMSD bond length	0.012
RMSD bond angle	1.369
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.640	3.263
High resolution limit [Å]	3.150	3.150
Number of reflections	143593	20131
<I/σ(I)>	5.3	2
Completeness [%]	100.0
Redundancy	7.1
CC(1/2)	0.947	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M sodium citrate pH 5.6 2.5% tacsimate pH 5.0 20% PEG 3350