24UW

Crystal structure of FPP-methyltransferase VbFPPMT from Variovorax boronicumulans PHE5-4 in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-23
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 21
Unit cell lengths	83.885, 131.748, 168.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.860 - 1.760
R-factor	0.1865
Rwork	0.184
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.934
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.820
High resolution limit [Å]	1.760	3.790	1.760
Rmerge	0.060	0.041	0.553
Rmeas	0.068	0.046	0.624
Rpim	0.030	0.020	0.284
Total number of observations	849344
Number of reflections	180663	18792	17756
<I/σ(I)>	9.3
Completeness [%]	98.7	99	97.8
Redundancy	4.7	4.6	4.4
CC(1/2)	0.995	0.998	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	20% PEG 6000, 1.0 M LiCl, 0.1 M Tris, pH 8.0