3N8G

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Detector technology	CCD
Collection date	2004-01-13
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	162.000, 76.000, 151.000
Unit cell angles	90.00, 108.00, 90.00

Refinement procedure

Resolution	30.132 - 2.585
R-factor	0.2035
Rwork	0.202
R-free	0.24550
Structure solution method	Re-refinement
Starting model (for MR)	1t5s
RMSD bond length	0.007
RMSD bond angle	1.093
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.660
High resolution limit [Å]	2.600	2.600
Rmerge	0.092	0.750
Number of reflections	53349
<I/σ(I)>		2.8
Completeness [%]	99.8	100
Redundancy	7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	292	PEG 6000, ter-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 929Kk, temperature 292K
1	VAPOR DIFFUSION, HANGING DROP	6.8	292	PEG 6000, ter-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 929Kk, temperature 292K
1	VAPOR DIFFUSION, HANGING DROP	6.8	292	PEG 6000, ter-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 929Kk, temperature 292K