22NU

Crystal structure of SjiH from the alpha-ketoglutarate-HExxH protein family

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-31
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	42.955, 80.877, 140.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.050 - 2.000
R-factor	0.1825
Rwork	0.180
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.261
Data reduction software	XDS (2025-05-15)
Data scaling software	XDS (2025-05-15)
Phasing software	PHASER (v9.0.003)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.740	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.081	0.577
Rmeas	0.086	0.609
Rpim	0.027	0.193
Number of reflections	34076	2459
<I/σ(I)>	19.8	5
Completeness [%]	99.9	98.7
Redundancy	9.9	9.8
CC(1/2)	0.999	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.02 M sodium/potassium phosphate, 0.1 M Bis-Tris propane (pH 6.5), 20% PEG 3350