3OEE

Structure of four mutant forms of yeast F1 ATPase: alpha-F405S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-22
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	110.430, 288.580, 187.170
Unit cell angles	90.00, 101.37, 90.00

Refinement procedure

Resolution	20.000 - 2.740
R-factor	0.213
Rwork	0.212
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hld
RMSD bond length	0.009
RMSD bond angle	1.260
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.840
High resolution limit [Å]	2.740	2.740
Number of reflections	289154
<I/σ(I)>	11.3
Completeness [%]	98.7	97.5
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.3	277	5.5% PEG 6000, 10% GLYCEROL, 4% METHANOL, 0.05M SODIUM ACETATE, 0.5MM NICKEL SULPHATE, 0.5MM AMP/PNP, 0.025 MM ADP, 2MM MAGNESIUM CHLORIDE, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K