5MFI

Designed armadillo repeat protein YIII(Dq.V2)4CqI in complex with peptide (KR)4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-06
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	50.800, 89.250, 107.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.040 - 1.450
R-factor	0.203
Rwork	0.202
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.040	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.117	5.435
Number of reflections	87337
<I/σ(I)>	15.1	0.52
Completeness [%]	99.9	99.9
Redundancy	13.1	12.5
CC(1/2)	0.999	0.120

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	25% PEG 2000 MME, 0.3 M Na Acetate, 0.1M Na Acetate, pH5.5