5MU5

Structure of MAf glycosyltransferase from Magnetospirillum magneticum AMB-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 2
Unit cell lengths	117.447, 126.852, 64.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.300 - 2.300
R-factor	0.18841
Rwork	0.187
R-free	0.22020
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.389
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	CRANK
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.300	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.085	0.790
Rpim	0.040	0.369
Number of reflections	43504	6235
<I/σ(I)>	12.8	2.4
Completeness [%]	99.8	99.5
Redundancy	5.1	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	1.5-1.7 M (NH4)2SO4, 5% (v/v) polyethylene glycol 400 and 0.1 M MES buffer, pH 6.5-7.0