6G52

CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97940
Spacegroup name	P 32 2 1
Unit cell lengths	116.738, 116.738, 243.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.286 - 3.691
R-factor	0.2861
Rwork	0.284
R-free	0.30260
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.748
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	243.960	63.286	3.910
High resolution limit [Å]	3.690	11.010	3.690
Rmerge	0.179	0.061	1.377
Rmeas	0.184	0.064	1.451
Rpim	0.042
Total number of observations	413360
Number of reflections	21343	1515	6363
<I/σ(I)>	13.9	36.86	1.4
Completeness [%]	99.7	99.8	98
Redundancy	19.4	9.69	10.027
CC(1/2)	0.998	0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	0.5 M Sodium Formate, 5 % PEG 3350, 0.1 M TRIS pH 7.2