5IWU

Macrolide 2'-phosphotransferase type II complexed with 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	2011-02-23
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	40.160, 81.290, 97.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.786 - 1.300
R-factor	0.1587
Rwork	0.158
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5igu
RMSD bond length	0.006
RMSD bond angle	1.082
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]	41.786		1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.037	0.018	0.604
Number of reflections	77516
<I/σ(I)>	26.98	76.33	1.89
Completeness [%]	97.8	98.3	81.5
Redundancy	7.2
CC(1/2)	1.000

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