3N5K

Structure Of The (Sr)Ca2+-ATPase E2-AlF4- Form

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	2009-10-11
Detector	PSI PILATUS 6M
Wavelength(s)	1.0007
Spacegroup name	P 21 21 21
Unit cell lengths	101.930, 109.420, 276.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.000 - 2.200
R-factor	0.186
Rwork	0.184
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fgo
RMSD bond length	0.010
RMSD bond angle	1.179
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.117
Number of reflections	156560
<I/σ(I)>	14.2	2.5
Completeness [%]	99.8	99.6
Redundancy	10.1	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	290	13% PEG 6000, 6% 2-methyl-2,4-pentane diol, 70mM sodium acetate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K