7FBO

geranyl pyrophosphate C6-methyltransferase BezA binding with S-adenosylhomocysteine

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]	95
Detector technology	PIXEL
Collection date	2019-06-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	84.309, 117.426, 195.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.340 - 2.560
R-factor	0.1828
Rwork	0.178
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7fbh
RMSD bond length	0.008
RMSD bond angle	1.087
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]	50.340	2.670
High resolution limit [Å]	2.560	2.560
Rmerge	0.150	0.864
Rmeas	0.150	0.926
Rpim	0.055	0.330
Number of reflections	30941	3824
<I/σ(I)>	11.2	2.5
Completeness [%]	100.0	100
Redundancy	7.5	7.8
CC(1/2)	0.996	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES (pH 7.5), 25% PEG3350, 0.2 M CH3COONH4. 0.01 M spermine tetrahydrochloride Soaking using 0.1 M HEPES (pH7.5), 35% PEG3350, 1.0 mM SAH.