5LDK

Crystal structure of E.coli LigT complexed with ATP

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	C 1 2 1
Unit cell lengths	101.950, 73.330, 77.490
Unit cell angles	90.00, 128.54, 90.00

Refinement procedure

Resolution	23.370 - 2.099
R-factor	0.2054
Rwork	0.202
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid: 5ldi
RMSD bond length	0.008
RMSD bond angle	1.148
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	2.150
High resolution limit [Å]	2.099	2.100
Rmerge	0.075	0.829
Number of reflections	26124
<I/σ(I)>	14.16	1.65
Completeness [%]	99.2	99.2
Redundancy	3.81	3.78
CC(1/2)	0.998

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