4BEW

SERCA bound to phosphate analogue

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	2008-11-10
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	101.430, 108.870, 274.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.972 - 2.500
R-factor	0.1698
Rwork	0.169
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o9j
RMSD bond length	0.008
RMSD bond angle	1.162
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]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.580
Number of reflections	103185
<I/σ(I)>	13.89	2.71
Completeness [%]	97.6	98.6
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	290	14% PEG 6000, 6% 2-METHYL-2,4- PENTANE DIOL, 70MM SODIUM ACETATE, 10MM MANGANESE CHLORIDE, 3MM ZWITTERGENT 3-12 , PH 6.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 290K