7VVS

PLL9 induced TmFtn nanocage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-20
Detector	RAYONIX MX-225
Wavelength(s)	0.97919
Spacegroup name	H 3 2
Unit cell lengths	176.193, 176.193, 357.508
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.685 - 2.200
R-factor	0.1812
Rwork	0.180
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vlg
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.685	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	107941	107909
<I/σ(I)>	2.2
Completeness [%]	99.9
Redundancy	1
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	2 mM PLL9, 100 mM Tris-HCl (pH 8.0)