4TX3

Complex of the X-domain and OxyB from Teicoplanin Biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.9780
Spacegroup name	P 21 21 21
Unit cell lengths	87.340, 94.010, 125.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.005 - 2.500
R-factor	0.1711
Rwork	0.168
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tx2 4tvf
RMSD bond length	0.008
RMSD bond angle	1.181
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.700
High resolution limit [Å]	2.500	20.000	2.500
Rmerge	0.085	0.037	0.449
Rmeas	0.093	0.040	0.492
Total number of observations	212554
Number of reflections	36333	87	7351
<I/σ(I)>	14.96	36.03	3.83
Completeness [%]	99.9	92.6	99.9
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM Bis-Tris, 200 mM (NH4)2SO4, 20% PEG 3350