4UU0

CRYSTAL STRUCTURE OF (SR) CALCIUM-ATPASE E2(TG) IN THE PRESENCE OF 14:1 PC

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	2011-06-18
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	71.170, 71.170, 583.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.904 - 2.500
R-factor	0.1964
Rwork	0.194
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c8k
RMSD bond length	0.011
RMSD bond angle	1.143
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.900	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.070	1.340
Number of reflections	54047
<I/σ(I)>	23.96	2.02
Completeness [%]	100.0	100
Redundancy	14.2	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.8		21 % (W/V) PEG2000, 100 MM MGSO4, 3 % (V/V) TERT-BUOH, 10 % (V/V) GLYCEROL, pH 6.8