2O62

CRYSTAL STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION FROM DUF3598 FAMILY (NPUN_R4044) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.75 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-20
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	61.210, 71.880, 132.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.148 - 1.750
R-factor	0.168
Rwork	0.166
R-free	0.20800
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.641
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.148	29.100	1.810
High resolution limit [Å]	1.750	2.990	1.750
Rmerge	0.083	0.054	0.462
Number of reflections	56361
<I/σ(I)>	9.71	18.9	1.6
Completeness [%]	93.7	99.8	70.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6.3	277	0.2M NH4Cl, 20.0% PEG-3350, No Buffer pH 6.3, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K