9WS9

SFX structure analysis of H-Ras using caged-GTP complex: dark condition (NPE-caged GTP bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	293
Detector technology	CCD
Collection date	2018-11-28
Detector	MPCCD
Wavelength(s)	1.7711
Spacegroup name	H 3 2
Unit cell lengths	92.950, 92.950, 121.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.610 - 2.150
R-factor	0.1803
Rwork	0.179
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.973
Data reduction software	CrystFEL (0.10.2)
Data scaling software	CrystFEL (0.10.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.650	2.180
High resolution limit [Å]	2.150	2.150
Number of reflections	11230	542
<I/σ(I)>	9.24	0.92
Completeness [%]	100.0	100
Redundancy	589	80.7
CC(1/2)	0.989	0.395

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