7W3E

Bovine cytochrome c oxidese in CN-bound fully reduced state at 50 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	50
Detector technology	CCD
Collection date	2014-06-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	181.666, 203.752, 177.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.762 - 1.450
R-factor	0.163
Rwork	0.162
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b1a
RMSD bond length	0.018
RMSD bond angle	1.965
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	1.460
High resolution limit [Å]	1.450	1.450
Rmerge	0.082
Rpim	0.016	0.383
Number of reflections	1155078	28677
<I/σ(I)>	58.5	3.27
Completeness [%]	100.0	100
Redundancy	22.1
CC(1/2)		0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	PEG 4000, Sodium phosphate buffer