9VOC

Crystal strucrue of HuHF-C2, a variant of HuHF

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	2025-01-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	F 4 3 2
Unit cell lengths	182.537, 182.537, 182.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.130 - 2.200
R-factor	0.1944
Rwork	0.191
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.505
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.085	0.046	0.417
Rmeas	0.086	0.046	0.423
Rpim	0.014	0.008	0.068
Total number of observations	514719
Number of reflections	13774	808	671
<I/σ(I)>	6.3
Completeness [%]	100.0	100	100
Redundancy	37.4	32.1	37.8
CC(1/2)	0.998	1.000	0.990

Crystallization Conditions

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