4WC8

Heterogeneous dodecamer formed from macrocycles containing a sequence from beta-2-microglobulin(63-69).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 41 2 2
Unit cell lengths	58.048, 58.048, 112.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.588 - 1.908
R-factor	0.1736
Rwork	0.169
R-free	0.21860
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.178
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.590	1.976
High resolution limit [Å]	1.908	1.908
Rmerge	0.084	0.538
<I/σ(I)>	12.15	2.61
Completeness [%]	99.2	96.93
Redundancy	5.5	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M Tris, pH 7.5, 0.2 M Li2SO4, 30% PEG 400