3MG9

Teg 12 Binary Structure Complexed with the Teicoplanin Aglycone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-09
Detector	ADSC QUANTUM 315
Spacegroup name	I 21 21 21
Unit cell lengths	66.119, 80.154, 132.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.320 - 2.270
R-factor	0.176
Rwork	0.173
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ov8
RMSD bond length	0.006
RMSD bond angle	1.038
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.266	2.280
Rmerge	0.087	0.542
Number of reflections	16630
<I/σ(I)>	15.5	2.17
Completeness [%]	99.9	100
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		10MG/ML PROTEIN. 1:1 UL HANGING DROPS. 1.0M SODIUM FORMATE, 0.1 M SODIUM ACETATE, PH 4.6, 1MM TEICOPLANIN AGLYCONE, 25 MM CHES, PH 9.1, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295.0K