4TX2

Crystal structure of the X-domain 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	2014-02-24
Detector	PSI PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	P 61
Unit cell lengths	134.990, 134.990, 54.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.186 - 2.900
R-factor	0.1951
Rwork	0.192
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jgp
RMSD bond length	0.002
RMSD bond angle	0.592
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]	48.000		3.200
High resolution limit [Å]	2.900	20.000	2.900
Rmerge	0.119	0.035	0.362
Rmeas	0.122	0.036	0.371
Total number of observations	261201
Number of reflections	12768	44	3227
<I/σ(I)>	24.31	70.77	9.09
Completeness [%]	99.9	89.8	99.9
Redundancy	20.5

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