2R3S

CRYSTAL STRUCTURE OF A PUTATIVE O-METHYLTRANSFERASE (NPUN_R0239) FROM NOSTOC PUNCTIFORME PCC 73102 AT 2.15 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	2007-07-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97901, 0.97925
Spacegroup name	P 41 21 2
Unit cell lengths	93.900, 93.900, 180.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.696 - 2.150
R-factor	0.19
Rwork	0.188
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.348
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.696	29.696	2.230
High resolution limit [Å]	2.150	4.610	2.150
Rmerge	0.075	0.023	0.596
Number of reflections	44737
<I/σ(I)>	14.35	45.2	2.25
Completeness [%]	99.6	98.6	98.5
Redundancy	7.25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 0.2M Sodium chloride, 1.0M Sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K