7F05

Crystal structure of human cardiac calsequestrin bound with calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	I 1 2 1
Unit cell lengths	157.340, 68.350, 157.985
Unit cell angles	90.00, 91.20, 90.00

Refinement procedure

Resolution	19.744 - 2.298
R-factor	0.2091
Rwork	0.208
R-free	0.23400
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.827
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.569	7.910	2.640
High resolution limit [Å]	2.298	5.590	2.298
Rmerge		0.096	0.495
Rmeas	0.151	0.101	0.520
Rpim	0.046	0.030	0.158
Number of reflections	74946	3437	8375
<I/σ(I)>	14.2	6.8	1.3
Completeness [%]	99.5	100	99.4
Redundancy	10.7	11.2	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	100 mM Na cacodylate (pH 6.0), 25% (vol/vol) 2-methyl-2,4-pentanedio (MPD), and 40 mM calcium lactate.