9VON

Crystal strucrue of HuHF-71-Cur complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 2 3
Unit cell lengths	181.210, 181.210, 181.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.430 - 2.500
R-factor	0.2
Rwork	0.198
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.233
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.418	3.237
Rmeas	0.428	3.318
Rpim	0.094	0.725
Total number of observations	1407429	95747
Number of reflections	68568	4595
<I/σ(I)>	8.2	1.3
Completeness [%]	100.0
Redundancy	20.5	20.8
CC(1/2)	0.996	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Bicine MgCl2