5MFK

Designed armadillo repeat protein YIII(Dq.V1)4CPAF in complex with peptide (KR)4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	67.470, 51.920, 69.680
Unit cell angles	90.00, 112.58, 90.00

Refinement procedure

Resolution	40.410 - 2.300
R-factor	0.186
Rwork	0.184
R-free	0.24200
RMSD bond length	0.009
RMSD bond angle	1.130
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]	40.410	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.042	0.366
Number of reflections	20024
<I/σ(I)>	21.8	5.36
Completeness [%]	97.5	95.4
Redundancy	3.3	3.2
CC(1/2)	0.998	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	25% PEG 2000 MME, 0.2 M KSCN, 0.1 M Na Acetate pH 5.5