9PU8

HRAS complex with UM0140693 compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	63.998, 37.343, 63.296
Unit cell angles	90.00, 90.61, 90.00

Refinement procedure

Resolution	32.250 - 1.400
R-factor	0.1517
Rwork	0.150
R-free	0.17920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.640
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]	32.250	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.058	0.181
Rmeas	0.068	0.217
Number of reflections	29235	2858
<I/σ(I)>	13.35	6.58
Completeness [%]	98.5	97.11
Redundancy	3.7	3.3
CC(1/2)	0.997	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Tris