29TA

Three viral endonucleases bound to the same inhibitor (9-hydroxy-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione derivative). (2) La Crosse virus L protein endonuclease with manganese ions.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-24
Detector	MAR CCD 300 mm
Wavelength(s)	0.8726
Spacegroup name	I 21 21 21
Unit cell lengths	51.790, 103.360, 105.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.870 - 2.800
R-factor	0.1867
Rwork	0.185
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.570
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.118	0.659
Rmeas	0.155	0.863
Number of reflections	13326	1013
<I/σ(I)>	7.39	1.39
Completeness [%]	99.0	99.6
Redundancy	2.3
CC(1/2)	0.984	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	288	0.20 M Ammonium sulphate 0.1 M bis-Tris pH6 20 % PEG 3350 Cryo: 20 % glycerol