2OCC

BOVINE HEART CYTOCHROME C OXIDASE AT THE FULLY OXIDIZED STATE

Experimental procedure

Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1996-05
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 - 2.300
R-factor	0.22 *
Rwork	0.209
R-free	0.25300 *
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
Starting model (for MR)	1occ
RMSD bond length	0.015
RMSD bond angle	24.246 *
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	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.061	0.251
Total number of observations	973307 *
Number of reflections	284634	28157 *
<I/σ(I)>	30.9	4.1
Completeness [%]	90.2	89.9
Redundancy	3.3	3.1

Crystallization Conditions

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