5VRJ

2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-23
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	90.924, 90.924, 133.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.908 - 2.302
R-factor	0.2021
Rwork	0.199
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.051
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.081	0.043	0.843
Rmeas	0.087	0.046	0.931
Rpim	0.030	0.016	0.376
Number of reflections	12688
<I/σ(I)>	10.4
Completeness [%]	99.0	99.8	91.3
Redundancy	7.9	8	4.7
CC(1/2)		0.999	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	0.1 M HEPES pH 7.8, 1 M Ammonium Sulfate, 50 mM MgCl2, 1% PVP K15