7K87

The crystal structure of the 2009 H1N1 PA endonuclease in complex with SJ000986436

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-09-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	89.502, 89.502, 132.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.750 - 2.700
R-factor	0.207
Rwork	0.205
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
RMSD bond length	0.002
RMSD bond angle	0.575
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (dev_3965)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.810	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.091	0.995
Rmeas	0.101	1.097
Rpim	0.042	0.453
Number of reflections	7507	5615
<I/σ(I)>	17.7	1.9
Completeness [%]	98.0	98.8
Redundancy	5.6	5.7
CC(1/2)	0.998	0.649

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