3V6I

Crystal structure of the peripheral stalk of Thermus thermophilus H+-ATPase/synthase at 2.25 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9393
Spacegroup name	P 21 21 2
Unit cell lengths	102.510, 208.690, 36.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.670 - 2.250
R-factor	0.2252
Rwork	0.223
R-free	0.26290
Structure solution method	MIRAS
RMSD bond length	0.010
RMSD bond angle	1.224
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.670	19.666	2.370
High resolution limit [Å]	2.240	7.120	2.250
Rmerge		0.015	0.533
Rmeas		0.019	0.669
Rpim		0.011	0.396
Total number of observations		2774	13911
Number of reflections	37768
<I/σ(I)>	10.7	33.9	2.1
Completeness [%]	97.2	84.4	98.7
Redundancy	2.5	2.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100mM HEPES (pH 7.5), 200mM Calcium acetate, 40% (v/v) PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K