7QC0

Crystal structure of Cadmium translocating P-type ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-12
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	89.028, 94.532, 128.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.270 - 3.110
R-factor	0.2459
Rwork	0.245
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qbz
RMSD bond length	0.004
RMSD bond angle	0.767
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.270	3.220
High resolution limit [Å]	3.110	3.110
Number of reflections	20134	1963
<I/σ(I)>	17.8	1.12
Completeness [%]	97.4	99.8
Redundancy	13.3
CC(1/2)	1.000	0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	200 mM magnesium formate, 14 % (v/v) PEG5000, 100 mM sodium acetate, pH=4.0, and 0.5 % (v/v) 2-propanol was added as an additive.