2WSS

The structure of the membrane extrinsic region of bovine ATP synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	158.244, 231.245, 286.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.770 - 3.200
R-factor	0.22
Rwork	0.217
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ck3
RMSD bond length	0.011
RMSD bond angle	1.343
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.780	3.370
High resolution limit [Å]	3.200	3.200
Rmerge	0.120	0.840
Number of reflections	172437
<I/σ(I)>	8.4	1.5
Completeness [%]	99.7	100
Redundancy	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH			MICROBATCH UNDER OIL