3MGB

Teg 12 Ternary Structure Complexed with PAP and 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	2009-08-08
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	78.001, 78.344, 99.741
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.950 - 2.040
R-factor	0.174
Rwork	0.171
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ov8
RMSD bond length	0.007
RMSD bond angle	1.183
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	2.120
High resolution limit [Å]	2.039	2.050
Rmerge	0.084	0.055
Number of reflections	37695
<I/σ(I)>	16.43	2.62
Completeness [%]	97.7	96.6
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9.1		PROTEIN CONCENTRATION OF 10MG/ML. 1:1 UL PROTEIN TO CRYSTALLIZATION SOLUTION. 25 MM CHES, PH 9.1, 1 MM TEICOPLANIN AGLYCONE, 2 MM PAP, 0.2 M AMMONIUM ACETATE, 20% W/V PEG 3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K