7S0M

Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723T, bound with non-productive isopentenyl diphosphate

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	189.801, 189.801, 56.483
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.130 - 2.000
R-factor	0.176
Rwork	0.175
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v0k
RMSD bond length	0.007
RMSD bond angle	0.810
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]	62.130	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	762371	78736
<I/σ(I)>	10.96	2
Completeness [%]	100.0
Redundancy	9.7
CC(1/2)	0.999	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M sodium citrate pH 5.6 0.015 M sodium citrate tribasic dihydrate 2.5% tacsimate pH 5.0 20% PEG 3350