5IGJ

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

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	2010-10-13
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	45.200, 45.200, 247.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.183 - 1.400
R-factor	0.152
Rwork	0.151
R-free	0.16920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5igh
RMSD bond length	0.010
RMSD bond angle	1.397
Data reduction software	XDS (March 5, 2012)
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1034)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.183		1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.054	0.016	0.773
Number of reflections	57398
<I/σ(I)>	24.77	79.97	2.06
Completeness [%]	96.7	99.3	77.2
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	295	0.1 M Na citrate, 25% PEG 4000, 20% isopropanol. 0.2 M ammonium acetate