6XRM

Crystal structure of human PI3K-gamma in complex with Compound 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999
Spacegroup name	C 1 2 1
Unit cell lengths	144.711, 68.649, 106.718
Unit cell angles	90.00, 95.38, 90.00

Refinement procedure

Resolution	106.250 - 2.880
R-factor	0.2427
Rwork	0.241
R-free	0.30490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.270
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	106.250	106.250	3.130
High resolution limit [Å]	2.880	18.380	2.880
Rmerge	0.042	0.012	0.438
Rmeas	0.051	0.015	0.533
Total number of observations	67612
Number of reflections	23191	91	5138
<I/σ(I)>	20.8	69.23	2.99
Completeness [%]	97.2	86.7	98.3
Redundancy	2.915	2.791	2.939
CC(1/2)	0.999	1.000	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	PEG 4000, (NH4)2SO4, Na Form, Tris