3SSM

MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg and SAH, Crystal form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	73.914, 143.407, 84.641
Unit cell angles	90.00, 105.60, 90.00

Refinement procedure

Resolution	81.520 - 2.247
R-factor	0.1672
Rwork	0.165
R-free	0.20980
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.13)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.523	50.000	2.330
High resolution limit [Å]	2.247	4.850	2.247
Rmerge	0.087	0.031	0.614
Number of reflections	80345
<I/σ(I)>	7.8
Completeness [%]	100.0	99.9	100
Redundancy	3.9	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	20%-25% PEG 3350, 0.15 M NaCl, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K