8UJA

T33-fn10 - Designed Tetrahedral Protein Cage Using Fragment-based Hydrogen Bond Networks

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 3
Unit cell lengths	225.630, 225.630, 225.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.110 - 6.000
R-factor	0.218
Rwork	0.214
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	XDS (20220110)
Data scaling software	XDS (20220110)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.110	92.110	6.150
High resolution limit [Å]	6.000	26.830	6.000
Rmerge	0.174	0.064	2.174
Rmeas	0.182	0.068	2.285
Number of reflections	18590	212	1368
<I/σ(I)>	9.17
Completeness [%]	100.0
Redundancy	10.6
CC(1/2)	0.997	0.998	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	100 mM HEPES pH 7.5, 10% PEG 8000, 10% Ethylene glycol