4XD7

Structure of thermophilic F1-ATPase inhibited by epsilon subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97879
Spacegroup name	I 41 2 2
Unit cell lengths	233.395, 233.395, 303.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.989 - 3.900
R-factor	0.2514
Rwork	0.250
R-free	0.28170
Starting model (for MR)	1sky 1e79 1fs0
RMSD bond length	0.011
RMSD bond angle	1.508
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.200	4.110
High resolution limit [Å]	3.900	3.900
Rmerge	0.100	0.520
Number of reflections	38420
<I/σ(I)>	14.7	3.3
Completeness [%]	99.6	97.9
Redundancy	6.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	[drop]10 % PEG 6,000, 0.20 M sodium chloride, 0.05 M Tris-sulphate buffer (pH 8.0), 2mM DTT, 5mM CyDTA, 10% (v/v) ethyleneglycol and 10 mg/ml protein/ [reservoir] 14-16 % PEG 6,000, 0.2 M sodium chloride, 0.05 M Tris-sulphate buffer (pH 8.0), 5mM CyDTA and 10% (v/v) ethyleneglycol