3EGE

Crystal structure of Putative methyltransferase from antibiotic biosynthesis pathway (YP_324569.1) from ANABAENA VARIABILIS ATCC 29413 at 2.40 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97915
Spacegroup name	P 31 2 1
Unit cell lengths	76.609, 76.609, 134.815
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.761 - 2.400
R-factor	0.184
Rwork	0.182
R-free	0.20200
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.689
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.761	29.760	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.109	0.044	0.714
Total number of observations		1788	7507
Number of reflections	18494
<I/σ(I)>	6.022	12	1.1
Completeness [%]	99.8	95.2	98.7
Redundancy	8.7	7.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	31.0% ethylene glycol, 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K