4JW3

Selection of specific protein binders for pre-defined targets from an optimized library of artificial helicoidal repeat proteins (alphaRep)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-29
Detector	PSI PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	118.210, 59.210, 65.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.770 - 2.600
R-factor	0.2258
Rwork	0.224
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ltm 4jw2
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	14080
<I/σ(I)>	15.7	2.6
Completeness [%]	95.8	96.3
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% PEG3,350; 0.2 M MgCl2; 0.1 M BisTris , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K