6IIH

crystal structure of mitochondrial calcium uptake 2(MICU2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	66.743, 96.311, 85.488
Unit cell angles	90.00, 98.98, 90.00

Refinement procedure

Resolution	48.676 - 1.958
R-factor	0.1809
Rwork	0.180
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.161
Data reduction software	HKL-2000 (v716.1)
Data scaling software	HKL-2000 (v716.1)
Phasing software	PHENIX ((1.11.1_2575: 000))
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.676	2.007
High resolution limit [Å]	1.958	1.958
Rmerge	0.048	0.507
Rmeas	0.058	0.629
Rpim	0.033	0.365
Number of reflections	73695	3701
<I/σ(I)>	8.98	1.65
Completeness [%]	96.0	97.9
Redundancy	2.8	2.8
CC(1/2)	0.997	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.16	293	100 mM Sodium phosphate monobasic , 100 mM potassium phosphate monobasic , 100 mM MES, 6.0 and 1M sodium chloride