7KAF

The crystal structure of the 2009/H1N1/California PA endonuclease I38T (construct with truncated loop 51-72) in complex with baloxavir acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	89.824, 89.824, 133.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.060 - 2.250
R-factor	0.1948
Rwork	0.192
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (dev_3965)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.060	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.064	0.556
Rmeas	0.104	0.744
Rpim	0.032	0.332
Number of reflections	12419	762
<I/σ(I)>	12	1.4
Completeness [%]	93.1
Redundancy	9.3
CC(1/2)	1.000	0.679

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