5IH0

Macrolide 2'-phosphotransferase type II Y92M mutant - complex with GDP and erythromycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-13
Detector	RAYONIX MX-300
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	39.920, 80.090, 96.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.395 - 1.650
R-factor	0.1832
Rwork	0.182
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iwu
RMSD bond length	0.004
RMSD bond angle	0.874
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.395		1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.056	0.017	0.572
Number of reflections	38102
<I/σ(I)>	25.93	69.91	2.79
Completeness [%]	99.9	99.4	100
Redundancy	7.1
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295	0.1 M calcium acetate, 0.1M Tris, 25-40% PEG 4000