1H8E

(ADP.AlF4)2(ADP.SO4) bovine F1-ATPase (all three catalytic sites occupied)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1998-08-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	267.700, 106.200, 138.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.500 - 2.000
R-factor	0.201 *
Rwork	0.201
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB CODE 1BMF NATIVE BOVINE MITOCHONDRIAL F1- ATPASE
RMSD bond length	0.012
RMSD bond angle	0.025
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.500	2.140
High resolution limit [Å]	2.000	2.000
Rmerge	0.066	0.481 *
Number of reflections	209953
<I/σ(I)>	9.1	1.7
Completeness [%]	79.6	40.6
Redundancy	2.1	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.2 *	22-24 *	Lutter, R., (1993) J.Mol.Biol., 229, 787. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	deuterium oxide	99.9 (%)
11	1	1	AMP-PNP	0.500 (mM)	*
12	1	1	ADP	0.010 (mM)	*
13	1	2	PEG6000	9 (%(w/v))
14	1	2	2-mercaptoethanol	5 (mM)
15	1	2	* solutions		half of concentration * solutions
2	1	1	Tris-HCl	100 (mM)	*
3	1	1	PEG6000	14 (%(w/v))
4	1	1		400 (mM)	*
5	1	1	EDTA	2 (mM)	*
6	1	1	sodium azide	0.04 (%(w/v))	*
7	1	1	PMSF	0.02 (%(w/v))	*
8	1	1	dithiothreitol	10 (mM)	*
9	1	2	magnesium sulphate	20 (mM)