1WPG

Crystal structure of the SR CA2+-ATPase with MGF4

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	IMAGE PLATE
Collection date	2003-05-30
Detector	RIGAKU RAXIS V
Wavelength(s)	0.8
Spacegroup name	P 1 21 1
Unit cell lengths	102.210, 275.394, 109.945
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.229
Rwork	0.223
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3 CYTOPLASMIC DOMAINS OF CA2+-ATPASE IN 1FQU
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.059
Number of reflections	250560
<I/σ(I)>	25.14	3.3
Completeness [%]	93.6	81.9
Redundancy	5.07	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	6.1		PEG400, pH 6.10, MICRODIALYSIS
1	MICRODIALYSIS	6.1		PEG400, pH 6.10, MICRODIALYSIS