6W7A

The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to DNA oligomer TAGCAT (uncleaved, 5mM overnight DNA soak)

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	2016-03-05
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	89.301, 89.301, 134.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.950 - 2.090
R-factor	0.176
Rwork	0.174
R-free	0.20490
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	2.150
High resolution limit [Å]	2.080	2.080
Rmerge	0.080	0.485
Rmeas	0.108	0.594
Rpim	0.030	0.219
Number of reflections	16288	1435
<I/σ(I)>	25	1.8
Completeness [%]	98.9	89.6
Redundancy	12.3	5.9
CC(1/2)	0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES PH 7.8, 1 M AMMONIUM SULFATE