5VAN

Crystal Structure of Beta-Klotho

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-24
Detector	RAYONIX MX325HE
Wavelength(s)	1.1808
Spacegroup name	P 21 21 21
Unit cell lengths	48.683, 144.069, 215.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.488 - 2.202
R-factor	0.1874
Rwork	0.186
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.943
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.488	2.281
High resolution limit [Å]	2.202	2.202
Rmerge	0.109	0.880
Number of reflections	77797	7442
<I/σ(I)>	20.13	2.71
Completeness [%]	99.0	97
Redundancy	7.1	6.9
CC(1/2)	0.997	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	293	14% PEG 4000, 0.1M MES