9CML

Crystal structure of p110alpha-RAS binding domain (RBD) in complex with molecular glue D223

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	41.041, 91.173, 47.944
Unit cell angles	90.00, 113.02, 90.00

Refinement procedure

Resolution	45.590 - 2.010
R-factor	0.2312
Rwork	0.229
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.598
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.130
High resolution limit [Å]	2.010	5.990	2.010
Rmerge	0.187	0.051	0.929
Rpim	0.031		0.756
Number of reflections	21190	817	3328
<I/σ(I)>	10.91	27.04	1.41
Completeness [%]	97.8	96.7	95.4
Redundancy	3.3	3.2	3.3
CC(1/2)	0.961	0.997	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1 M (TRIS/Bicine), 0.1 M amino acid mix, 50 %v/v (MPD, PEG 1000, PEG 3350)