5MFD

Designed armadillo repeat protein YIIIM''6AII in complex with pD_(KR)5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.2395
Spacegroup name	P 63
Unit cell lengths	194.660, 194.660, 241.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.120 - 2.300
R-factor	0.191
Rwork	0.190
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TCZ and 5AEI
RMSD bond length	0.009
RMSD bond angle	1.110
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]	49.120	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.230	1.149
Number of reflections	300594
<I/σ(I)>	8.45	0.24
Completeness [%]	99.9	99.8
Redundancy	10.3	10.3
CC(1/2)	0.999	0.084

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	28.0%v/v PEG 400, 0.2M Calcium chloride, 0.1M Na HEPES pH 7.5