5ZND

8-mer nanotube derived from 24-mer rHuHF nanocage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9779
Spacegroup name	I 4 2 2
Unit cell lengths	100.352, 100.352, 51.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.894 - 3.000
R-factor	0.2323
Rwork	0.227
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fha
RMSD bond length	0.003
RMSD bond angle	0.671
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.117
Rmeas	0.124
Number of reflections	2556	134
<I/σ(I)>	19.58	6.15
Completeness [%]	90.1	100
Redundancy	11.5	12.9
CC(1/2)	0.982	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2M ammonium citrate (pH=8.0), 0.1M Tris-HCl (pH=8.0), 22% (w/v) PEG 3350