4X7V

MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin IV (product)

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	2012-12-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033200
Spacegroup name	P 21 21 21
Unit cell lengths	50.133, 92.544, 128.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.081 - 1.450
R-factor	0.1621
Rwork	0.161
R-free	0.17700
RMSD bond length	0.006
RMSD bond angle	1.379
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1593))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.450
Number of reflections	99022
<I/σ(I)>	19.2
Completeness [%]	92.4
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.1	20-30% PEG 5000 MME, 100 mM ammonium acetate, and 100 mM BisTrisPropane pH 6.5