4M60

Crystal structure of macrolide glycosyltransferases OleD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2013-07-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97939
Spacegroup name	H 3
Unit cell lengths	124.134, 124.134, 67.636
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.081 - 1.770
R-factor	0.184
Rwork	0.183
R-free	0.20800
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.159
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.8.2_1309)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.082	0.058
Number of reflections	37890
<I/σ(I)>	9.7
Completeness [%]	100.0	100	100
Redundancy	11.6	11.8	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein Solution (10-15 mg/ml protein, 25mM Tris pH 7.5 and 150mM NaCl) mixed in a 1:1 ratio with the well solution (45% polyacrylate 2100, sodium salt, 0.1M HEPES pH 6.5) Cryoprotected with 45% polyacrylate 2100, sodium salt, VAPOR DIFFUSION, SITTING DROP, temperature 298K