8IJN

Bovine Heart Cytochrome c Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-12-12
Detector	Bruker DIP-6040
Wavelength(s)	0.90
Spacegroup name	P 21 21 21
Unit cell lengths	182.289, 208.358, 177.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.370 - 1.800
R-factor	0.1701
Rwork	0.169
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ag3
RMSD bond length	0.019
RMSD bond angle	1.664
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.600	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.069
Number of reflections	617758	60732
<I/σ(I)>	23.6	1.41
Completeness [%]	99.7	98.7
Redundancy	7.2	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	PEG4000, Sodium phosphate buffer