1OCO

BOVINE HEART CYTOCHROME C OXIDASE IN CARBON MONOXIDE-BOUND STATE

Experimental procedure

Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1996-07-21
Detector	FUJI
Spacegroup name	P 21 21 21
Unit cell lengths	189.100, 210.500, 178.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.800
R-factor	0.213
Rwork	0.213
R-free	0.25600
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	26.149 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.84)
Refinement software	X-PLOR (3.84)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.062 *	0.320 *
Total number of observations	1656746 *
Number of reflections	173384	14954 *
<I/σ(I)>	14.7	3.5
Completeness [%]	97.5	85
Redundancy	9.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.8		pH 6.8