6KAN

Crystal structure of FKRP in complex with Ba ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	77.073, 119.051, 257.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.918 - 2.251
R-factor	0.1975
Rwork	0.196
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.049
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]	48.920	2.276
High resolution limit [Å]	2.250	2.251
Number of reflections	112891	3410
<I/σ(I)>	14.47
Completeness [%]	99.8
Redundancy	7.4

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