3FPS

The Structure of Sarcoplasmic Reticulum Ca2+-ATPase Bound To Cyclopiazonic and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-26
Detector	ADSC QUANTUM 210
Wavelength(s)	1.11587
Spacegroup name	P 1 21 1
Unit cell lengths	62.340, 96.500, 155.130
Unit cell angles	90.00, 94.84, 90.00

Refinement procedure

Resolution	24.891 - 3.200
R-factor	0.223
Rwork	0.222
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oa0
RMSD bond length	0.010
RMSD bond angle	1.255
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.300
High resolution limit [Å]	3.200	3.200
Number of reflections	30131
<I/σ(I)>		1.6
Completeness [%]	98.9	98.8
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.1	284	2.75-3% PEG3350, 25% GLYCEROL, 20mM MGCL2, 0.1mM EGTA, 20mM MES, pH 6.1, VAPOR DIFFUSION, temperature 284K
1	VAPOR DIFFUSION	6.1	284	2.75-3% PEG3350, 25% GLYCEROL, 20mM MGCL2, 0.1mM EGTA, 20mM MES, pH 6.1, VAPOR DIFFUSION, temperature 284K