3W5C

Crystal structure of the calcium pump in the E2 state free from exogenous inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 41 21 2
Unit cell lengths	71.226, 71.226, 586.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.27066
Rwork	0.270
R-free	0.27551
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	146.560	2.570
High resolution limit [Å]	2.500	2.500
Number of reflections	53716
Completeness [%]	98.4	99.4
Redundancy		14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1