9WRR

SS-ROX structure analysis of H-Ras using caged-compound complex: 28 hr after UV light irradiation (GDP bound form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-11-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	93.436, 93.436, 122.847
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.580 - 2.500
R-factor	0.1988
Rwork	0.197
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.470
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.610	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	7351	359
<I/σ(I)>	3.99	1.04
Completeness [%]	100.0	100
Redundancy	111.9	74.5
CC(1/2)	0.974	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.4	298	18% w/v PEG 8000, 0.2M calcium acetate, 0.1M MES pH 6.4, microseeding