8Y64

Crystal structure of open state ferulic acid decarboxylase from Saccharomyces cerevisiae, F397V/I398L/T438P/P441V mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9799
Spacegroup name	P 21 21 21
Unit cell lengths	81.778, 81.830, 166.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.810 - 1.970
R-factor	0.1522
Rwork	0.151
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.983
Data reduction software	HKL-3000 (version 723)
Data scaling software	HKL-3000 (version 723)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.810	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.132	0.674
Rmeas	0.138
Rpim	0.039
Number of reflections	79148	7273
<I/σ(I)>	12.87	4.4
Completeness [%]	98.3	92.47
Redundancy	11.8	11.7
CC(1/2)	0.968	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	300	0.1 M Bis-Tris, pH5.5, 25% w/v PEG 3350