6OX7

The complex of 1918 NS1-ED and the iSH2 domain of the human p85beta subunit of PI3K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2018-11-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	60.980, 94.030, 67.220
Unit cell angles	90.00, 105.31, 90.00

Refinement procedure

Resolution	44.650 - 2.750
R-factor	0.2296
Rwork	0.228
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l4q
Data reduction software	MOSFLM
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.830	64.830	2.900
High resolution limit [Å]	2.750	8.700	2.750
Rmerge	0.163	0.121	0.623
Rmeas	0.192	0.145	0.731
Rpim	0.099	0.077	0.379
Total number of observations	70864	2182	10222
Number of reflections	19133	623	2774
<I/σ(I)>	6.7	12.8	2.1
Completeness [%]	100.0	99.5	100
Redundancy	3.7	3.5	3.7
CC(1/2)	0.972	0.961	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	20 mM sodium phosphate, 80 mM NaCl