3IQ6

Crystal structure of a tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	63.265, 76.770, 177.566
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.236
Rwork	0.228
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hni
RMSD bond length	0.016
RMSD bond angle	1.367
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.098	0.356
Number of reflections	36701
<I/σ(I)>	4.9	1.8
Completeness [%]	99.5	99.9
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% PEG 2000, 0.1M HEPES, 0.15 M Sodium chloride, 1.15 mM Zinc chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K