9WBE

Crystal structure of the CHS-CHIL complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	73.460, 114.910, 146.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.990 - 1.910
R-factor	0.1713
Rwork	0.170
R-free	0.20440
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.159
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.990	1.978
High resolution limit [Å]	1.910	1.910
Number of reflections	96542	9590
<I/σ(I)>	11.9
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.997	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M trimethylamine N-oxide dihydrate, 0.1 M Tris pH 8.5, 20% (w/v) polyethylene glycol monomethyl ether 2000