9PUN

HRAS complex with UM0148697 compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	65.080, 83.520, 91.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.690 - 2.400
R-factor	0.2103
Rwork	0.208
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.698
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.690	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.051	0.260
Rmeas	0.055	0.283
Rpim	0.022	0.112
Number of reflections	19723	1916
<I/σ(I)>	24.26	8.26
Completeness [%]	98.2	97.16
Redundancy	6.4	6.3
CC(1/2)	0.998	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	293.15	0.1 M Tris, 0.2 M MgCl2, 26 % PEG 3,350