4DCL

Computationally Designed Self-assembling tetrahedron protein, T308, Crystallized in space group F23

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	CCD
Collection date	2011-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	F 2 3
Unit cell lengths	153.690, 153.690, 153.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.780 - 3.350
R-factor	0.2316
Rwork	0.231
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4e
RMSD bond length	0.011
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.800	18.800	3.440
High resolution limit [Å]	3.350	14.980	3.350
Rmerge	0.056	0.030	0.531
Number of reflections	4298	31	325
<I/σ(I)>	24.14	52.88	4.39
Completeness [%]	96.6	49.2	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	2.0 M sodium chloride, 0.1 M sodium acetate, pH 4.6, 35% GLYCEROL AS CRYOPROTECTANT, vapor diffusion, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP