1E79

Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide)

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	1999-06-23
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	267.200, 107.200, 135.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.225 *
Rwork	0.225
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB CODE 1E1Q NATIVE FROZEN BOVINE MITOCHONDRIAL F1-ATPASE
RMSD bond length	0.006
RMSD bond angle	0.016
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.088	0.331
Number of reflections	140093
<I/σ(I)>	8.1	2.1
Completeness [%]	92.2	68.6
Redundancy	2.4	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.2 *		pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris-HCl	100 (mM)	solution A
10	1	2	solution A		half conc. of above
11	1	2	solution B
12	1	2		400 (mM)
13	1	2		10 (mM)
14	1	2	EDTA	1 (mM)
15	1	2	PEG6000	9 (%(w/v))
2	1	1		200 (mM)
3	1	1		4 (mM)
4	1	1	sodium azide	0.04 (%(w/v))	solution A
5	1	1	PMSF	0.004 (%(w/v))	solution B
6	1	1	PEG6000	14 (%(w/v))
7	1	1	ADP	0.660 (mM)	solution B
8	1	1	DCCD	0.100 (mM)	solution B
9	1	1	protein	5 (mg/ml)