5IGI

Macrolide 2'-phosphotransferase type I - complex with guanosine and azithromycin

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	2011-02-23
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	45.310, 45.310, 247.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.240 - 1.200
R-factor	0.1609
Rwork	0.161
R-free	0.16280
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5igh
RMSD bond length	0.010
RMSD bond angle	1.401
Data reduction software	XDS (March 5, 2012)
Data scaling software	XSCALE
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.240		1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.038	0.035	0.243
Number of reflections	90023
<I/σ(I)>	18.51	37.84	2.95
Completeness [%]	95.7	92.7	71.6
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	295	0.1 M Na citrate, 25% PEG 4000, 17% isopropanol