6VLL

The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986213

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	2019-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	90.693, 90.693, 132.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.210 - 2.870
R-factor	0.2387
Rwork	0.235
R-free	0.28440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.830	3.030
High resolution limit [Å]	2.870	2.870
Rmerge	0.083	0.938
Rmeas	0.090	1.007
Rpim	0.032	0.349
Number of reflections	6270	903
<I/σ(I)>	13.4	1.9
Completeness [%]	95.9
Redundancy	7.7
CC(1/2)	0.999

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