9CMK

Crystal structure of p110alpha-RAS binding domain (RBD) in complex with molecular glue D927

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	40.092, 91.230, 46.800
Unit cell angles	90.00, 112.40, 90.00

Refinement procedure

Resolution	28.770 - 1.750
R-factor	0.1779
Rwork	0.176
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.086
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]	30.000	30.000	1.860
High resolution limit [Å]	1.750	5.180	1.750
Rmerge	0.125	0.050	1.008
Rpim	0.056
Number of reflections	31272	1232	5000
<I/σ(I)>	10.63	29.57	2.01
Completeness [%]	99.7	98.5	99.7
Redundancy	7	7	6.8
CC(1/2)	0.997	0.998	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	277	0.1 M (MES/Imidazole), 0.06 M Divalent mix, 40 %v/v (MPD, PEG 1000, PEG 3350)