5GOU

Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1
Unit cell lengths	99.588, 95.460, 111.973
Unit cell angles	67.08, 68.29, 70.06

Refinement procedure

Resolution	49.553 - 2.910
R-factor	0.2303
Rwork	0.228
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fha
RMSD bond length	0.002
RMSD bond angle	0.484
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.9)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.970
High resolution limit [Å]	2.910	2.910
Number of reflections	93623
<I/σ(I)>	7.676	1.68
Completeness [%]	85.2	87.8
Redundancy	2.6	2.5
CC(1/2)		0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		300	1% PEG 4K, 1% MPD, 0.1M NaAC