2OKF

CRYSTAL STRUCTURE OF A FDXN ELEMENT EXCISION CONTROLLING FACTOR PROTEIN (AVA_3312) FROM ANABAENA VARIABILIS AT 1.60 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97937, 0.97905
Spacegroup name	P 31
Unit cell lengths	59.810, 59.810, 73.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.898 - 1.600
R-factor	0.143
Rwork	0.142
R-free	0.15500
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.572
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.898		1.660
High resolution limit [Å]	1.600	2.730	1.600
Rmerge	0.037	0.033	0.242
Number of reflections	38600
<I/σ(I)>	12.07	20.9	3.2
Completeness [%]	96.3	99.3	88.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	NANODROP, 0.2M (NH4)2SO4, 25.0% PEG 4000, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K