3OAA

Structure of the E.coli F1-ATP synthase inhibited by subunit Epsilon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-10
Detector	ADSC QUANTUM 315r
Spacegroup name	C 1 2 1
Unit cell lengths	435.970, 183.000, 225.390
Unit cell angles	90.00, 108.99, 90.00

Refinement procedure

Resolution	15.000 - 3.260
R-factor	0.243
Rwork	0.243
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ck3
RMSD bond length	0.004
RMSD bond angle	0.821
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.6.3_473)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	3.360
High resolution limit [Å]	3.260	3.260
Rmerge	0.092	0.626
Number of reflections	252390
<I/σ(I)>	15.44	1.5
Completeness [%]	98.5	91.7
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M MOPS-NaOH, 75-150 mM MgSO4, 7-9% PEG8000, 5 mM beta-mercaptoethanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M MOPS-NaOH, 75-150 mM MgSO4, 7-9% PEG8000, 5 mM beta-mercaptoethanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M MOPS-NaOH, 75-150 mM MgSO4, 7-9% PEG8000, 5 mM beta-mercaptoethanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K