8T7V

Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	57.546, 77.805, 58.827
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	46.240 - 2.250
R-factor	0.2045
Rwork	0.202
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.488
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.790	2.290
High resolution limit [Å]	2.200	2.250
Rmerge	0.090	0.514
Number of reflections	24783	644
<I/σ(I)>	11.58
Completeness [%]	90.9
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20% PEG 3350, 100mM Tris, pH 8.5, 100mM KCl