8JMQ

Crystal structure of hinokiresinol synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 21 3
Unit cell lengths	105.974, 105.974, 105.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.390 - 2.000
R-factor	0.1633
Rwork	0.160
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.390	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.637
Number of reflections	27084	1998
<I/σ(I)>	53.6	5.3
Completeness [%]	100.0	100
Redundancy	68.9	22.4
CC(1/2)	1.000	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM Tacsimate, 20% PEG 4000, 1M LiCl