5T2T

Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease bound to compound L742001

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2015-09-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8729
Spacegroup name	P 41
Unit cell lengths	108.116, 108.116, 54.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.058 - 1.967
R-factor	0.1845
Rwork	0.182
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jsb
RMSD bond length	0.008
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.060	2.037
High resolution limit [Å]	1.967	1.967
Number of reflections	44686
<I/σ(I)>	12.51	2.02
Completeness [%]	100.0	100
Redundancy	6.9	7.2
CC(1/2)	0.998	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	Na citrate 0,1M, Isopropanol 3,5%, MnCl2 1mM, L742001 2mM