5VP8

I38T mutant of 2009 H1N1 PA Endonuclease

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	90.098, 90.098, 134.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.190 - 2.200
R-factor	0.202
Rwork	0.200
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5czn
RMSD bond length	0.027
RMSD bond angle	2.367
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.087	0.055	0.919
Rmeas	0.090	0.057	0.978
Rpim	0.025	0.016	0.317
Total number of observations	178503
Number of reflections	14303
<I/σ(I)>	10.3
Completeness [%]	99.3	99.6	94.6
Redundancy	12.5	12.2	8.3
CC(1/2)		0.998	0.705

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, 10 mM MnCl2, 10 mM MgCl2, 0.5% PVP K15