9U3O

Crystal structure of Chi430 mutant E176A in the substrate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	121.676, 49.858, 92.602
Unit cell angles	90.00, 125.62, 90.00

Refinement procedure

Resolution	49.510 - 1.350
R-factor	0.18514
Rwork	0.184
R-free	0.20328
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.959
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.580	1.390
High resolution limit [Å]	1.350	1.350
Number of reflections	98938	7195
<I/σ(I)>	7.4	2.5
Completeness [%]	99.8
Redundancy	6	4.4
CC(1/2)	0.974	0.189

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	290	0.1 M BIS-TRIS pH 5.5, 2.0 M Ammonium sulfate