1AR1

Structure at 2.7 Angstrom Resolution of the Paracoccus Denitrificans two-subunit Cytochrome C Oxidase Complexed with an Antibody Fv Fragment

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	277
Detector technology	CCD
Collection date	1997-01-31
Detector	PRINCETON 2K
Spacegroup name	P 21 21 21
Unit cell lengths	93.500, 151.000, 156.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.207
Rwork	0.207
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FOUR PROTEIN SUBUNITS CONTAINING CYTOCHROME C OXIDASE FROM PARACOCCUS DENITRIFICANS (NATURE 376: 660-669)
RMSD bond length	0.012
RMSD bond angle	23.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.068	0.332
Total number of observations	198657 *
Number of reflections	57945 *
<I/σ(I)>	13.4	4
Completeness [%]	93.8	79.7
Redundancy	3.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5	293 *	pH 5.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	100 (mM)
2	1	reservoir	PEG2000	7-8.5 (%)