2AGV

Crystal structure of the SR CA2+-ATPASE with BHQ and TG

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	2004-06-14
Detector	RIGAKU RAXIS V
Wavelength(s)	0.75
Spacegroup name	P 41
Unit cell lengths	71.385, 71.385, 591.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 2.400
R-factor	0.239
Rwork	0.239
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3 CYTOPLASMIC DOMAINS OF CA2+-ATPASE IN 1IWO
RMSD bond length	0.008
RMSD bond angle	1.300
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	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.075	0.271
Number of reflections	114125
<I/σ(I)>	29.3	4.5
Completeness [%]	99.8	99.4
Redundancy	10.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	6.1	283	PEG400, pH 6.10, MICRODIALYSIS, temperature 283K
1	MICRODIALYSIS	6.1	283	PEG400, pH 6.10, MICRODIALYSIS, temperature 283K