5IGU

Macrolide 2'-phosphotransferase type II

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-29
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	67.360, 114.890, 92.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.897 - 2.100
R-factor	0.2006
Rwork	0.198
R-free	0.22140
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.298
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.897		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.035	0.015	0.367
Number of reflections	18990
<I/σ(I)>	21.84	59.55	2.27
Completeness [%]	87.6	85.8	69.3
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	295	0.15 M calcium acetate, 0.1 M sodium cacodylate pH 6.5, 16% PEG 8000 and 20% glycerol