9VOM

Crystal strucrue of HuHF-C2-AZB complex

This is a non-PDB format compatible entry.

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	2020-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	F 4 3 2
Unit cell lengths	183.456, 183.456, 183.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.310 - 2.000
R-factor	0.1764
Rwork	0.174
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.718
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	0.095	0.041	0.562
Rmeas	0.097	0.042	0.573
Rpim	0.019	0.009	0.111
Number of reflections	18428	1068	890
<I/σ(I)>	5.5
Completeness [%]	100.0	100	100
Redundancy	25.2	22.1	26.2
CC(1/2)	1.000	1.000	0.965

Crystallization Conditions

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