6OQ3

Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and HKi2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976484
Spacegroup name	P 1 21 1
Unit cell lengths	57.110, 76.830, 58.210
Unit cell angles	90.00, 92.28, 90.00

Refinement procedure

Resolution	46.374 - 1.850
Rwork	0.244
R-free	0.29230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hdo
RMSD bond length	0.003
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.400	1.960
High resolution limit [Å]	1.850	1.850
Rmerge	0.046	1.406
Number of reflections	42373	6656
<I/σ(I)>	16.49
Completeness [%]	98.6
Redundancy	3.78
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20-25% PEG 3,350, 100 mM Tris, pH 8.5, 100 mM KCl