3GGD

Crystal structure of SAM-dependent methyltransferase (YP_325210.1) from ANABAENA VARIABILIS ATCC 29413 at 2.11 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645,0.97967
Spacegroup name	P 41 21 2
Unit cell lengths	112.520, 112.520, 112.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.083 - 2.110
R-factor	0.163
Rwork	0.162
R-free	0.17500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.646
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]	30.083	30.083	2.190
High resolution limit [Å]	2.110	4.530	2.110
Rmerge	0.221	0.090	1.530
Number of reflections	42096	8021	8394
<I/σ(I)>	11	27.8	2
Completeness [%]	99.7	99.5	99.6
Redundancy	17.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.01M cobalt chloride, 1.8M ammonium sulfate, 0.1M MES pH 6.5, ADDITIVE: 0.001 M S-ADENOSYLMETHIONINE (SAM), NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K