1EFR

BOVINE MITOCHONDRIAL F1-ATPASE COMPLEXED WITH THE PEPTIDE ANTIBIOTIC EFRAPEPTIN

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-05-04
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	285.700, 107.400, 139.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.500 - 3.100
R-factor	0.177 *
Rwork	0.177
R-free	0.22500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bmf
RMSD bond length	0.006
RMSD bond angle	16.200 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CCP4
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	5.500 *	3.350
High resolution limit [Å]	3.100 *	3.100
Rmerge	0.079	0.152
Number of reflections	68961
Completeness [%]	86.0	83
Redundancy	2.6	2.5

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 (%)
10	1	1	magnesium chloride	8 (mM)
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	sodium chloride	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)