7S0L

Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723F

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	2021-06-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 3 2 1
Unit cell lengths	189.280, 189.280, 56.373
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	94.640 - 2.650
R-factor	0.1919
Rwork	0.190
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v0k
RMSD bond length	0.008
RMSD bond angle	0.889
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]	94.640	2.750
High resolution limit [Å]	2.650	2.650
Number of reflections	323109	33846
<I/σ(I)>	7.6	2.3
Completeness [%]	99.9
Redundancy	9.5
CC(1/2)	0.986	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M sodium citrate pH 5.6 0.01 M citric acid pH 3.5 2.5% tacsimate pH 5.0 18% PEG 3350