9PUQ

HRAS complex with UM0152248 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	2021-09-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	63.250, 85.240, 92.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.280 - 2.000
R-factor	0.2057
Rwork	0.204
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.637
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.280	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.054	1.376
Rmeas	0.059	1.504
Rpim	0.023	0.597
Number of reflections	34200	3305
<I/σ(I)>	21.39	1.56
Completeness [%]	99.0	97.14
Redundancy	6.3	6.2
CC(1/2)	0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.1 M Tris, 0.2 M CaCl2, 23 % PEG 4,000