9WRT

SS-ROX structure analysis of H-Ras using caged-compound complex: freeze-trap series (2.5 h after UV light irradiation)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-13
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	92.400, 92.400, 121.684
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.850 - 1.800
R-factor	0.1851
Rwork	0.184
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.041
Data reduction software	CrystFEL (0.10.1)
Data scaling software	CrystFEL (0.10.1)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.850	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	18764	925
<I/σ(I)>	9.65	1.61
Completeness [%]	100.0	100
Redundancy	965.6	662.9
CC(1/2)	0.995	0.480

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