2JDI

Ground state structure of F1-ATPase from bovine heart mitochondria (Bovine F1-ATPase crystallised in the absence of azide)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-13
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	105.610, 123.130, 261.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.177
Rwork	0.175
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ck3
RMSD bond length	0.008
RMSD bond angle	1.119
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.960
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.260
Number of reflections	194499
<I/σ(I)>	15.9	1.7
Completeness [%]	72.8	18.8
Redundancy	3.1	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.2		50 MM TRIS-HCL PH 8.2, 200 MM NACL, 20 MM MGSO4, 250 UM AMP-PNP, 5 UM ADP, 0.004% (W/V) PHENYLMETHYLSULFONYL FLUORIDE AND 12% (W/V) POLYETHYLENE GLYCOL 6000