6JXK

Rb+-bound E2-MgF state of the gastric proton pump (Wild-type)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-06-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	191.510, 106.430, 250.960
Unit cell angles	90.00, 107.79, 90.00

Refinement procedure

Resolution	47.790 - 4.300
R-factor	0.2666
Rwork	0.263
R-free	0.33840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ylu
RMSD bond length	0.004
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	4.500
High resolution limit [Å]	4.300	4.300
Number of reflections	31390
<I/σ(I)>	7.19	0.92
Completeness [%]	94.9	53.46
Redundancy	6.6
CC(1/2)	0.990	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% glycerol, 15% PEG6000, 0.1M CH3COOK, 6% methylpentanediol, 5 mM beta-mercaptoethanol