3RFU

Crystal structure of a copper-transporting PIB-type ATPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-06-20
Detector	PSI PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	44.150, 72.980, 329.950
Unit cell angles	89.96, 90.04, 90.22

Refinement procedure

Resolution	19.996 - 3.200
R-factor	0.236
Rwork	0.235
R-free	0.26060
Structure solution method	MIRAS
RMSD bond length	0.008
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	3.300
High resolution limit [Å]	3.200	3.200
Number of reflections	79677
Completeness [%]	96.0	93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	6 % (w/v) PEG6K, 10 % (v/v) Glycerol, 140 mM NaCl, 3 % v/v t-BuOH, 5 mM BME, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	6 % (w/v) PEG6K, 10 % (v/v) Glycerol, 140 mM NaCl, 3 % v/v t-BuOH, 5 mM BME, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K