6RB2

Structure of the (SR)Ca2+-ATPase mutant E340A in the Ca2-E1-CaAMPPCP form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8729
Spacegroup name	P 21 21 2
Unit cell lengths	232.900, 126.990, 49.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.810 - 3.200
R-factor	0.214187415331
Rwork	0.212
R-free	0.25656
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t5s
RMSD bond length	0.007
RMSD bond angle	0.702
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1685)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.000	3.300
High resolution limit [Å]	3.200	3.200
Rmeas	0.197
Number of reflections	25331	2201
<I/σ(I)>	10.92
Completeness [%]	99.9	99.8
Redundancy	6.08
CC(1/2)	0.996	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG 6000, 10 mM CaCl2, 3 mM MgCl2, 1 mM AMPPCP