5LDI

Crystal structure of E.coli LigT in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	63.390, 88.320, 73.840
Unit cell angles	90.00, 115.01, 90.00

Refinement procedure

Resolution	36.604 - 2.100
R-factor	0.1799
Rwork	0.177
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid:1iuh
RMSD bond length	0.004
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.076	0.918
Number of reflections	43063
<I/σ(I)>	11.93	1.3
Completeness [%]	99.6	99.8
Redundancy	3.81	3.83
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, 14% (w/v) PEG 8000