1YOD

Crystal structure of a water soluble analog of phospholamban

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9765, 0.9766, 0.9643
Spacegroup name	P 61 2 2
Unit cell lengths	46.996, 46.996, 120.136
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.21176
Rwork	0.209
R-free	0.25724
Structure solution method	MAD
RMSD bond length	0.034
RMSD bond angle	1.663
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.073	0.430
Number of reflections	7658
<I/σ(I)>	13.1	2.8
Completeness [%]	99.8	100
Redundancy	18	18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	1,6 hexanediol, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K