5IGP

Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin

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	2010-10-03
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	45.140, 45.140, 247.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.175 - 1.600
R-factor	0.1616
Rwork	0.161
R-free	0.18190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5igr
RMSD bond length	0.010
RMSD bond angle	1.318
Data reduction software	XDS (Mar 5, 2012)
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]	41.175		1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.071	0.027	0.703
Number of reflections	40026
<I/σ(I)>	20.19	52.76	2.44
Completeness [%]	99.9	99.8	98.9
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	295	0.1 M Na citrate, 27% PEG 4000, 18% isopropanol