5LDJ

Crystal structure of E.coli LigT complexed with phosphate

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
Unit cell lengths	54.730, 63.520, 67.370
Unit cell angles	106.26, 106.14, 103.06

Refinement procedure

Resolution	22.956 - 2.802
R-factor	0.2218
Rwork	0.218
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid:5LDI
RMSD bond length	0.003
RMSD bond angle	0.705
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	2.880
High resolution limit [Å]	2.800	2.800
Rmerge	0.126	0.942
Number of reflections	18651
<I/σ(I)>	7.21	1.02
Completeness [%]	95.7	94.3
Redundancy	2.21	2.2
CC(1/2)	0.978

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