3AR5

Calcium pump crystal structure with bound TNP-AMP 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	CCD
Collection date	2009-11-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 41 21 2
Unit cell lengths	71.683, 71.683, 589.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.26165
Rwork	0.260
R-free	0.28788
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1AGV
RMSD bond length	0.013
RMSD bond angle	1.453
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	79624
<I/σ(I)>		2.678
Completeness [%]	99.4	99.6
Redundancy		8.1

Crystallization Conditions

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