6WS3

The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomers TG and AGCA (from cleaved GTGAGCAGTG)

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	2016-06-07
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	89.646, 89.646, 133.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.400 - 2.200
R-factor	0.1916
Rwork	0.190
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.078	0.790
Rmeas	0.104	0.969
Rpim	0.042	0.486
Number of reflections	14021	2145
<I/σ(I)>	20.8	1.4
Completeness [%]	99.0	92.1
Redundancy	3.2	1.9
CC(1/2)	0.996	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES PH 7.8, 1 M AMMONIUM SULFATE, 0.02M MGCL2, 0.02M MNCL2