6KAM

Crystal structure of FKRP in complex with Ba ion, CDP-ribtol, and sugar acceptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	78.571, 119.240, 254.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.690 - 2.460
R-factor	0.2104
Rwork	0.208
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.949
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.690	2.510
High resolution limit [Å]	2.460	2.460
Rmerge	0.089	1.315
Rmeas	0.095	1.424
Rpim	0.051	0.759
Number of reflections	86984	8055
<I/σ(I)>	19.8
Completeness [%]	99.8
Redundancy	6.5
CC(1/2)	0.999	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	4-8 % PEG 4,000, 0.1 M HEPES-NaOH (pH7.5), 0.5 M LiCl2 and 20 mM BaCl2