6L7U

Crystal structure of FKRP in complex with Ba ion, Ba-SAD data

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	CCD
Collection date	2015-05-29
Detector	ADSC QUANTUM 270
Wavelength(s)	1.90000
Spacegroup name	P 21 21 21
Unit cell lengths	77.147, 119.241, 255.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 2.240
R-factor	0.2018
Rwork	0.200
R-free	0.23420
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.767
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	autoSHARP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	2.280
High resolution limit [Å]	2.240	2.240
Rmerge	0.140	3.288
Rmeas	0.143	3.352
Number of reflections	230030	5586
<I/σ(I)>	22.4
Completeness [%]	99.9
Redundancy	28.4
CC(1/2)	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	4-8% PEG 4000, 0.1 M HEPES-NaOH (pH 7.5),0.5 M LiCl2, 20 mM BaCl2