7QBZ

Crystal structure 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	2017-05-26
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	89.642, 93.665, 128.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.570 - 3.250
R-factor	0.2194
Rwork	0.217
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4umw
RMSD bond length	0.003
RMSD bond angle	0.820
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]	45.600	3.370
High resolution limit [Å]	3.250	3.250
Number of reflections	17447	1715
<I/σ(I)>	8.5
Completeness [%]	99.2	99.88
Redundancy	6.1
CC(1/2)	0.990	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	292.15	200 mM MgCl2, 14 % (v/v) PEG1500, 10 mM tris(2-carboxyethyl)phosphine, 10 % (v/v) glycerol, 3 % 2-Methyl-2,4-pentanediol and 100 mM sodium acetate, pH=5.0.