6V9E

The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000988632

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	PIXEL
Collection date	2019-08-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	91.052, 91.052, 134.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.960 - 2.400
R-factor	0.2454
Rwork	0.244
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17rc1_3605)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.380	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.034	0.809
Rmeas	0.038	0.908
Rpim	0.017	0.403
Number of reflections	11142	1145
<I/σ(I)>	20.5	2.1
Completeness [%]	98.8	99.6
Redundancy	4.6	4.9
CC(1/2)	1.000	0.812

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, 10 MM MNCL2, 10 MM MGCL2, 0.5% PVP K15