4P4V

Hexamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MAA)AVK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 42 2 2
Unit cell lengths	62.030, 62.030, 44.676
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.299 - 1.970
R-factor	0.1975
Rwork	0.195
R-free	0.22180
RMSD bond length	0.008
RMSD bond angle	1.276
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.300	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.037	0.377
Number of reflections	6556
<I/σ(I)>	13.24	2
Completeness [%]	99.9	99.2
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M Tris, pH 8.0; 0.3 M lithium sulfate; 45% PEG 400