5OP1

Designed Ankyrin Repeat Protein (DARPin) A4 in complex with 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	P 21 21 2
Unit cell lengths	55.916, 102.866, 50.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.433 - 2.284
R-factor	0.2098
Rwork	0.207
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oos
RMSD bond length	0.003
RMSD bond angle	0.533
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]	55.916	55.916	2.323
High resolution limit [Å]	2.284	6.196	2.284
Rmerge	0.081	0.038	0.776
Rmeas	0.085	0.040	0.807
Rpim	0.024	0.013	0.220
Number of reflections	13626
<I/σ(I)>	21.1
Completeness [%]	99.3	99.9	100
Redundancy	12.8	10.9	13.3
CC(1/2)	0.999	0.999	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	0.2 M (NH4)2 Tart, 20 %w/v PEG 3350