1OCR

BOVINE HEART CYTOCHROME C OXIDASE IN THE FULLY REDUCED 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	1996-05-19
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	15.000 - 2.350
R-factor	0.211 *
Rwork	0.203
R-free	0.25100 *
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	25.205 *
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	2.460
High resolution limit [Å]	2.350	2.350
Rmerge	0.062	0.320
Total number of observations	1184694 *
Number of reflections	270061	28814 *
<I/σ(I)>	14.4	2
Completeness [%]	89.2	72
Redundancy	4.4	1.9

Crystallization Conditions

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