29SL

Three viral endonucleases bound to the same inhibitor (9-hydroxy-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione derivative). (1b) Influenza virus A/pH1N1 polymerase PA subunit 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	2012-11-21
Detector	MAR CCD 300 mm
Wavelength(s)	0.8726
Spacegroup name	P 21 21 21
Unit cell lengths	53.820, 74.220, 100.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.490 - 2.000
R-factor	0.1996
Rwork	0.198
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.574
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	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.082	0.697
Rmeas	0.095	0.743
Number of reflections	52701	5183
<I/σ(I)>	11.44	1.91
Completeness [%]	99.8	99.5
Redundancy	3.91	3.87
CC(1/2)	0.998	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	288	5 mM MnCl2 0.1 M Hepes sodium pH7.5 0.7 M Tri-sodium citrate dihydrate Cryo: 20 % glycerol