5FBH

Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+

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	2015-11-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.6985
Spacegroup name	C 1 2 1
Unit cell lengths	172.107, 83.106, 94.470
Unit cell angles	90.00, 105.15, 90.00

Refinement procedure

Resolution	46.080 - 2.700
R-factor	0.184
Rwork	0.182
R-free	0.23600
RMSD bond length	0.012
RMSD bond angle	1.578
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]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.093	0.059	0.772
Rmeas	0.110	0.072	0.905
Rpim	0.058	0.040	0.468
Total number of observations	125177
Number of reflections	34777
<I/σ(I)>	11.8
Completeness [%]	98.9	95.2	99.9
Redundancy	3.6	3.3	3.6
CC(1/2)		0.991	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	10% PEG 8000, 200 mM MgCl2, 10 mM CaCl2 and 100 mM Tris-HCl, 0.5 mM GdCl3