3B5O

CRYSTAL STRUCTURE OF A CADD-LIKE PROTEIN OF UNKNOWN FUNCTION (NPUN_F6505) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.35 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000, 0.9797, 0.9795
Spacegroup name	P 63
Unit cell lengths	91.150, 91.150, 67.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.267 - 1.350
R-factor	0.156
Rwork	0.155
R-free	0.17400
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.259
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.267	27.267	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.046	0.027	0.823
Number of reflections	68962	13608	13076
<I/σ(I)>	12.58	33.9	1.6
Completeness [%]	96.9	98.9	91.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 0.2M Mg(OAc)2, 20.0% PEG 8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K