8JNB

CRAF ras-binding domain chimera, ligand complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-02
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	65.019, 69.775, 39.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.890 - 1.620
R-factor	0.2058
Rwork	0.204
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.632
Data reduction software	XDS (Feb 3, 2021)
Data scaling software	XDS (Feb 3, 2021)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.890	1.678
High resolution limit [Å]	1.620	1.620
Rmerge	0.049	0.898
Rmeas	0.053	0.970
Rpim	0.020	0.369
Number of reflections	11698	1097
<I/σ(I)>	22.6	2.02
Completeness [%]	98.7	93.43
Redundancy	7.1	6.6
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.5M ammonium sulfate, 1.0M lithium sulfate, 0.1M sodium citrate, pH 5.6