9E4Q

A DARPin fused to the 3TEL crystallization chaperone via a gly-gly-gly fusion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	46.140, 85.500, 120.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.750 - 3.580
R-factor	0.2711
Rwork	0.268
R-free	0.32440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.504
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.750	3.708
High resolution limit [Å]	3.580	3.580
Rmerge	0.282	1.132
Rmeas	0.294	1.187
Rpim	0.082	0.348
Number of reflections	6014	586
<I/σ(I)>	8.55	2.36
Completeness [%]	99.6	98.99
Redundancy	12.6	11.5
CC(1/2)	0.993	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.05 M Ammonium sulfate, 0.05 M BIS-TRIS pH 6.5, Polyethylene glycol 600