7BWN

Crystal Structure of a Designed Protein Heterocatenane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97892
Spacegroup name	H 3
Unit cell lengths	108.897, 108.897, 684.966
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.145 - 2.396
R-factor	0.1879
Rwork	0.187
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b61 4d1m
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3247)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.482
High resolution limit [Å]	2.396	2.396
Rmerge	0.099
Rpim		0.220
Number of reflections	114682	10477
<I/σ(I)>	15.3
Completeness [%]	97.8
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298.15	Bis-Tris, (NH4)2SO4