4P4Z

Octomer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVT(MVA)TVK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	63.310, 63.310, 126.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.130 - 1.310
R-factor	0.152
Rwork	0.151
R-free	0.17450
RMSD bond length	0.015
RMSD bond angle	1.602
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.130	1.357
High resolution limit [Å]	1.310	1.310
Rmerge	0.079	1.108
Number of reflections	62669
<I/σ(I)>	16.09	1.76
Completeness [%]	100.0	100
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	298	PEG 1500 35%, 0.1 M SPG buffer (2:7:7 - succinic acid:sodium dihydrogen phosphate:glycine)