5LDM

Crystal structure of E.coli LigT complexed with 2'-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-13
Detector	MAR CCD 165 mm
Wavelength(s)	1.04
Spacegroup name	P 4 21 2
Unit cell lengths	108.070, 108.070, 72.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.035 - 2.460
R-factor	0.2028
Rwork	0.197
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid: 5ldi
RMSD bond length	0.005
RMSD bond angle	0.937
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.520
High resolution limit [Å]	2.460	2.460
Rmerge	0.079	0.621
Number of reflections	15451
<I/σ(I)>	18.01	1.51
Completeness [%]	95.4	52.4
Redundancy	6.6	2.58
CC(1/2)	0.999	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M Tris-HCl pH 7.5, 0.2 M MgCl2, 12% (w/v) PEG 8000