6KAJ

Crystal structure of FKRP in complex with Ba ion

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	2015-05-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	77.369, 118.820, 253.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.158 - 2.225
R-factor	0.2103
Rwork	0.209
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.868
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]	44.160	2.250
High resolution limit [Å]	2.220	2.225
Number of reflections	114810	3420
<I/σ(I)>	14.36
Completeness [%]	99.6
Redundancy	6.5

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