3NMK

Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 65
Unit cell lengths	99.467, 99.467, 109.544
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	86.140 - 2.800
R-factor	0.1909
Rwork	0.188
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.814
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.141	86.141	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.061	0.301
Total number of observations		3814	16037
Number of reflections	15237
<I/σ(I)>	17.1	6.8	1.9
Completeness [%]	100.0	99.8	99.9
Redundancy	7.7	7.5	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K