2OP5

CRYSTAL STRUCTURE OF A DIMERIC FERREDOXIN-LIKE PROTEIN (JCVI_PEP_1096672785533) FROM UNCULTURED MARINE ORGANISM AT 2.20 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645, 0.97942, 0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	56.558, 84.629, 144.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.340 - 2.200
R-factor	0.233
Rwork	0.230
R-free	0.29200
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.510
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.340	48.300	2.280
High resolution limit [Å]	2.200	4.720	2.200
Rmerge	0.150	0.056	0.683
Number of reflections	36082
<I/σ(I)>	7.22	16.3	1.8
Completeness [%]	99.6	98.8	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	NANODROP, 0.2M Potassium formate, 20.0% PEG 3350, No Buffer, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K