4D9J

Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains

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)	0.9794
Spacegroup name	P 2 2 21
Unit cell lengths	122.700, 187.410, 283.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.893 - 3.920
R-factor	0.2828
Rwork	0.282
R-free	0.29360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vdx
RMSD bond length	0.003
RMSD bond angle	0.726
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.893	19.893	4.020
High resolution limit [Å]	3.920	17.530	3.920
Rmerge	0.066	0.030	0.317
Number of reflections	58471	227	3837
<I/σ(I)>	21.13	42.5	6.29
Completeness [%]	98.2	29.3	88.5
Redundancy	7.097

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.3	298	1.2M NaH2PO4, 0.8M K2HPO4, 0.1M CAPS, pH 10.3, vapor diffusion, hanging drop, temperature 298K