5HPN

A circularly permuted PduA forming an icosahedral cage

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	2015-03-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97170
Spacegroup name	P 42 3 2
Unit cell lengths	144.500, 144.500, 144.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.427 - 2.509
R-factor	0.2164
Rwork	0.212
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ppd
RMSD bond length	0.010
RMSD bond angle	1.352
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.430	2.598
High resolution limit [Å]	2.509	2.509
Number of reflections	18264
<I/σ(I)>	14.71
Completeness [%]	100.0
Redundancy	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.8M Ammonium Sulfate 0.1M Tris pH8.5 1.25% w/v Peg 10000