1OCZ

BOVINE HEART CYTOCHROME C OXIDASE IN AZIDE-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	1996-05-19
Detector	FUJI
Spacegroup name	P 21 21 21
Unit cell lengths	189.200, 210.600, 178.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.900
R-factor	0.193 *
Rwork	0.195
R-free	0.25500
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.016 *
RMSD bond angle	2.100 *
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]	2.900 *	2.900 *
Rmerge	0.078 *	0.317 *
Total number of observations	561728 *
Number of reflections	133932 *	10237 *
<I/σ(I)>	14.4	2
Completeness [%]	85.7 *	66.3 *
Redundancy	4.2 *	3.0 *

Crystallization Conditions

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