5OP3

Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96858
Spacegroup name	H 3
Unit cell lengths	120.746, 120.746, 24.653
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.856 - 1.359
R-factor	0.1341
Rwork	0.133
R-free	0.16050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oos
RMSD bond length	0.012
RMSD bond angle	1.194
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.373	60.373	1.383
High resolution limit [Å]	1.359	3.690	1.359
Rmerge	0.077	0.041	1.392
Rmeas	0.080	0.042	1.486
Rpim	0.018	0.009	0.513
Total number of observations	489874
Number of reflections	28830
<I/σ(I)>	18.7
Completeness [%]	100.0	99.9	100
Redundancy	17	20	8.3
CC(1/2)	0.999	0.999	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	298	0.02 M CaCl2, 0.1 M Na Acet 4.6 pH, 30 %v/v MPD