5FBK

Crystal structure of the extracellular domain of human calcium sensing receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	170.872, 82.916, 94.256
Unit cell angles	90.00, 105.10, 90.00

Refinement procedure

Resolution	37.770 - 2.100
R-factor	0.191
Rwork	0.190
R-free	0.22270
RMSD bond length	0.010
RMSD bond angle	1.379
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.072	0.029	0.913
Rmeas	0.076	0.034
Rpim	0.043	0.017	0.541
Total number of observations	284906
Number of reflections	74547
<I/σ(I)>	9
Completeness [%]	100.0	99.8	100
Redundancy	3.8	3.7	3.8
CC(1/2)		0.998	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	10% PEG 8000, 200 mM MgCl2, 10 mM CaCl2 and 100 mM Tris-HCl