9VOE

Crystal strucrue of HuHF-C2-Cur complex 2

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	2020-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	F 4 3 2
Unit cell lengths	182.892, 182.892, 182.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.330 - 2.000
R-factor	0.1889
Rwork	0.185
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.560
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.107	0.067	0.594
Rmeas	0.109	0.068	0.601
Rpim	0.018	0.012	0.095
Total number of observations	698483
Number of reflections	18306	1052	890
<I/σ(I)>	6.4
Completeness [%]	100.0	99.7	100
Redundancy	38.2	32.9	39.9
CC(1/2)	0.997	0.999	0.984

Crystallization Conditions

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