8URG

Human mitochondrial calcium uniporter crystal structure (residues 74-165 resolved) with lithium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.5212
Spacegroup name	P 65
Unit cell lengths	55.520, 55.520, 69.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.080 - 1.630
R-factor	0.2003
Rwork	0.199
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.329
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.080	1.720
High resolution limit [Å]	1.630	1.630
Rmerge	0.078	1.885
Rmeas	0.087	2.175
Rpim	0.039	1.059
Number of reflections	15144	770
<I/σ(I)>	13.3	1
Completeness [%]	99.7	100
Redundancy	9.1	7.8
CC(1/2)	0.998	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	50 mM Imidazole (pH 8.0), 150 mM Li2So4, 30% w/v PEG3000, 4% v/v Formamide 1:2 drop ratio of protein to condition over 500 uL of 1.5 M ammonium sulfate Equimolar ratio of MCU 72-189 and MCUb 59-159 for protein solution