6JJU

Structure of Ca2+ ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	165.576, 84.358, 122.187
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.480 - 3.200
R-factor	0.2136
Rwork	0.211
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t5s
RMSD bond length	0.010
RMSD bond angle	0.757
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.480	3.310
High resolution limit [Å]	3.200	3.200
Number of reflections	28954
<I/σ(I)>	4.7
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.7	289	28.5% PEG 250DME, 50 mM ammonium nitrate, 100 mM tris(hydroxymethyl)aminomethane