6VBR

The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986248

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)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	90.790, 90.790, 134.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.860 - 2.750
R-factor	0.2397
Rwork	0.239
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
RMSD bond length	0.006
RMSD bond angle	0.978
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]	75.180	2.880
High resolution limit [Å]	2.750	2.750
Rmerge	0.060	1.173
Rmeas	0.064	1.242
Rpim	0.022	0.404
Number of reflections	7619	983
<I/σ(I)>	18.6	2
Completeness [%]	100.0	100
Redundancy	8.7	9.3
CC(1/2)	0.999	0.746

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, PH 6.5