4K5C

From DARPins to LoopDARPins: Novel LoopDARPin Design Allows the Selection of Low Picomolar Binders in a Single Round of Ribosome Display

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2011-11-24
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	49.600, 63.900, 113.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.456 - 1.700
R-factor	0.1726
Rwork	0.171
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.991
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.054	0.030	0.467
Rmeas		0.036	0.563
Number of reflections	40279	518	2942
<I/σ(I)>	14.15	32.83	2.51
Completeness [%]	99.4	97.4	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	0.1M Na-cacodylate, 0.2M Li2SO4, 8% PEG20000, 8% PEG550 MME, pH 6.5, vapor diffusion, temperature 277K