6NCT

Structure of p110alpha/niSH2 - vector data collection

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9199
Spacegroup name	P 21 21 21
Unit cell lengths	115.355, 117.724, 151.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.540 - 3.350
R-factor	0.2028
Rwork	0.199
R-free	0.27090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ovu
RMSD bond length	0.013
RMSD bond angle	1.952
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.540	49.540	3.440
High resolution limit [Å]	3.350	14.980	3.350
Rmerge	0.102	0.039	0.978
Rmeas	0.112	0.043	1.075
Total number of observations	159053
Number of reflections	29227	319	2130
<I/σ(I)>	11.56	33.22	1.56
Completeness [%]	96.4	80.8	97
Redundancy	5.442	5.129	5.401
CC(1/2)	0.998	0.997	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M Hepes, 1.4-1.6 M sodium formate