5IGW

Macrolide 2'-phosphotransferase type II - complex with GDP and clarithromycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	40.173, 81.103, 97.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.447 - 2.096
R-factor	0.1731
Rwork	0.167
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5igu
RMSD bond length	0.007
RMSD bond angle	0.906
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.10pre_2104)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.447	50.000	2.180
High resolution limit [Å]	2.096	4.520	2.100
Rmerge	0.061	0.041	0.180
Total number of observations	109125
Number of reflections	18372
<I/σ(I)>	12.9
Completeness [%]	94.7	99.8	64.6
Redundancy	5.9	6.7	2.5

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