21HO

Crystal strucrue of HuHF-C2-MEO complex

This is a non-PDB format compatible entry.

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	2024-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	F 4 3 2
Unit cell lengths	186.660, 186.660, 186.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.920 - 2.400
R-factor	0.2173
Rwork	0.215
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.473
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.138
Number of reflections	11419	540
<I/σ(I)>	33.3
Completeness [%]	100.0
Redundancy	36.5
CC(1/2)	0.999	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	MgCl2, Bicine