7R0I

STRUCTURAL BASIS OF ION UPTAKE IN COPPER-TRANSPORTING P1B-TYPE ATPASES

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	2019-08-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	F 2 2 2
Unit cell lengths	129.526, 150.098, 218.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.650 - 2.700
R-factor	0.2274
Rwork	0.225
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rfu
RMSD bond length	0.011
RMSD bond angle	1.259
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.802
High resolution limit [Å]	2.700	2.705
Rmerge	0.068	1.283
Rmeas	0.074	1.423
Rpim	0.028	0.605
Number of reflections	55972	2798
<I/σ(I)>	19.66	1.1
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	1.000	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	1.5 M ammonium citrate, 0.1 M MES pH=5.5, 5.0 mM 06:0 Lyso PC