29SJ

Three viral endonucleases bound to the same inhibitor (9-hydroxy-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione derivative). (1a) Influenza virus A/pH1N1 PA subunit endonuclease with magnesium ions.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.37762
Spacegroup name	P 21 21 21
Unit cell lengths	53.830, 74.000, 101.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.860
R-factor	0.197
Rwork	0.195
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.608
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]	40.000	1.950
High resolution limit [Å]	1.860	1.860
Rmerge	0.029	0.388
Rmeas	0.039	0.520
Number of reflections	62716	8324
<I/σ(I)>	17.6
Completeness [%]	95.4	95.3
Redundancy	2.11	2.11
CC(1/2)	0.999	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	288	10 mM Mg, No manganese. 0.1 M Hepes sodium pH 7.5. 0.7 M Tri-sodium citrate dihydrate. Cryo: 20 % glycerol