4QES

Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, quadruple mutant, I222 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	2014-02-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9789
Spacegroup name	I 2 2 2
Unit cell lengths	123.510, 165.520, 167.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.830 - 4.193
R-factor	0.2535
Rwork	0.251
R-free	0.29480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.440
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.835	83.835	4.300
High resolution limit [Å]	4.190	18.750	4.190
Rmerge	0.127	0.075	0.885
Number of reflections	12914	170	911
<I/σ(I)>	14.16	41.56	3.32
Completeness [%]	99.7	98.3	96.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	0.1 M sodium citrate, pH 4.4, 11% PEG3000, 200 mM sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K