3TOM

Crystal structure of an engineered cytochrome cb562 that forms 2D, Zn-mediated sheets

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	2011-04-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	.979
Spacegroup name	C 1 2 1
Unit cell lengths	95.690, 37.843, 138.489
Unit cell angles	90.00, 112.61, 90.00

Refinement procedure

Resolution	47.800 - 2.300
R-factor	0.2153
Rwork	0.210
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.372
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	127.844	47.802	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.057	0.489
Total number of observations		2534	9869
Number of reflections	19645
<I/σ(I)>	8.2	9.6	1.5
Completeness [%]	94.3	99.6	92.8
Redundancy	3.5	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	8 mM ZnCl2 and 200 mM BISTRIS, pH 6, VAPOR DIFFUSION, temperature 298K