5LDQ

Crystal structure of E.coli LigT complexed with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.03
Spacegroup name	C 1 2 1
Unit cell lengths	86.740, 91.620, 120.610
Unit cell angles	90.00, 102.31, 90.00

Refinement procedure

Resolution	117.835 - 1.700
R-factor	0.1839
Rwork	0.183
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid:5ldi
RMSD bond length	0.007
RMSD bond angle	1.321
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]	120.000	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.053	1.043
Number of reflections	100969
<I/σ(I)>	13.92	1.23
Completeness [%]	99.8	99.8
Redundancy	3.8	3.86
CC(1/2)	0.999	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.1 M Tris-HCl pH 7.4, 0.2 M MgCl2, 20% (w/v) PEG 8000