8GVM

The structure of azide-bound cytochrome C oxidase determined using the crystals exposed to 20 mm azide solution for 4 days

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	2014-07-03
Detector	RAYONIX MX225-HS
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	183.405, 206.272, 177.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.969 - 1.851
R-factor	0.1652
Rwork	0.164
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b1a
RMSD bond length	0.019
RMSD bond angle	1.736
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	DM
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	1.870
High resolution limit [Å]	1.850	1.850
Rmerge	0.092	1.082
Rpim	0.022	0.391
Number of reflections	564234	13836
<I/σ(I)>	42.5	3.3
Completeness [%]	99.7	99.2
Redundancy	12.8	8.2
CC(1/2)		0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	PEG 4000, SODIUM PHOSPHATE BUFFER PH 6.8