4ITV

Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, P212121 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	PIXEL
Collection date	2012-10-26
Detector	PSI PILATUS 6M
Wavelength(s)	0.97910
Spacegroup name	P 21 21 21
Unit cell lengths	131.620, 156.610, 321.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.140 - 3.598
R-factor	0.2078
Rwork	0.206
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BRO and 1AA7
RMSD bond length	0.003
RMSD bond angle	0.609
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]	160.575	160.575	3.690
High resolution limit [Å]	3.598	16.090	3.600
Rmerge	0.066	0.020	0.619
Number of reflections	76475	960	5452
<I/σ(I)>	16.61	62.51	2.5
Completeness [%]	98.3	96.8	95.7

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 3000, vapor diffusion, hanging drop, temperature 298K