6L7S

Crystal structure of FKRP in complex with Mg ion, Zinc peak data

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	2015-06-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.2825
Spacegroup name	P 21 21 21
Unit cell lengths	76.939, 119.384, 257.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.300 - 2.410
R-factor	0.1831
Rwork	0.182
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kan
RMSD bond length	0.007
RMSD bond angle	0.782
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]	47.300	2.450
High resolution limit [Å]	2.410	2.410
Rmerge	0.074	0.631
Rmeas	0.088	0.695
Number of reflections	177276	4418
<I/σ(I)>	12.97	2.9
Completeness [%]	100.0
Redundancy	3.4
CC(1/2)	0.998	0.839

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), and 0.2 M MgCl2