8T09

Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-ethynyl-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	57.530, 77.922, 58.711
Unit cell angles	90.00, 91.54, 90.00

Refinement procedure

Resolution	46.880 - 2.150
R-factor	0.2029
Rwork	0.201
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.553
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]	58.700	2.190
High resolution limit [Å]	2.100	2.150
Rmerge	0.063	0.067
Number of reflections	28217	772
<I/σ(I)>	13.85
Completeness [%]	91.8
Redundancy	4

Crystallization Conditions

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