7LW6

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

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	2019-04-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	89.515, 89.515, 133.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.350 - 2.380
R-factor	0.2188
Rwork	0.216
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
RMSD bond length	0.012
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.400	2.470
High resolution limit [Å]	2.380	2.380
Rmerge	0.051	0.961
Rmeas	0.057	1.147
Rpim	0.024	0.455
Number of reflections	11154	1144
<I/σ(I)>	15.1	1.9
Completeness [%]	99.3	98.8
Redundancy	5.7	6.1
CC(1/2)	0.999	0.786

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