4XTB

Crystal structure of the N-terminal domain of the human mitochondrial calcium uniporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 65
Unit cell lengths	55.463, 55.463, 68.929
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.030 - 1.500
R-factor	0.14152
Rwork	0.140
R-free	0.17626
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xsj
RMSD bond length	0.010
RMSD bond angle	1.636
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.390
High resolution limit [Å]	1.370	1.370
Number of reflections	23888
<I/σ(I)>	14.3	1.3
Completeness [%]	99.4	99.6
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1.55 M lithium sulphate 0.1 M Bis-Tris propane (pH 8.0)