5LDO

Crystal structure of E.coli LigT complexed with 3'-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	2013-06-12
Detector	MAR CCD 165 mm
Wavelength(s)	1.04
Spacegroup name	P 1 21 1
Unit cell lengths	63.410, 88.350, 73.970
Unit cell angles	90.00, 114.95, 90.00

Refinement procedure

Resolution	28.746 - 2.752
R-factor	0.2164
Rwork	0.212
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid: 5ldi
RMSD bond length	0.003
RMSD bond angle	0.830
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	2.820
High resolution limit [Å]	2.750	2.750
Rmerge	0.092	0.804
Number of reflections	19216
<I/σ(I)>	14.11	1.76
Completeness [%]	99.3	97.8
Redundancy	3.8	3.76
CC(1/2)	0.996	0.629

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, 18% (w/v) PEG 8000