5LDP

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	102.150, 73.470, 77.610
Unit cell angles	90.00, 128.34, 90.00

Refinement procedure

Resolution	19.703 - 1.800
R-factor	0.1708
Rwork	0.169
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid: 5ldi
RMSD bond length	0.009
RMSD bond angle	1.242
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1467)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.047	1.061
Number of reflections	41617
<I/σ(I)>	15.47	1.31
Completeness [%]	99.2	99.5
Redundancy	3.38	3.33
CC(1/2)	0.999	0.508

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