4IQ4

Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, P21212 form

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	2012-10-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97910
Spacegroup name	P 21 21 2
Unit cell lengths	126.710, 137.870, 171.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.294 - 3.495
R-factor	0.2011
Rwork	0.200
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BRO and 1AA7
RMSD bond length	0.003
RMSD bond angle	0.723
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.300	93.300	3.590
High resolution limit [Å]	3.495	15.630	3.500
Rmerge	0.125	0.037	0.606
Number of reflections	37857	480	2618
<I/σ(I)>	9.74	32.76	2.42
Completeness [%]	97.6	95	92.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	0.1M Na Citrate pH 4.4, 10% PEG 3,000, vapor diffusion, hanging drop, temperature 298K