8CLA

Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESA
Synchrotron site	SwissFEL ARAMIS
Beamline	ESA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2020-02-28
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.03
Spacegroup name	P 1 21 1
Unit cell lengths	73.230, 90.940, 82.430
Unit cell angles	90.00, 96.74, 90.00

Refinement procedure

Resolution	13.000 - 2.000
R-factor	0.156
Rwork	0.155
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.448
Data reduction software	CrystFEL (0.8.0)
Data scaling software	CrystFEL (0.8.0)
Phasing software	PHENIX (1.20_4459)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.030	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	100135	9939
<I/σ(I)>	4.64	0.51
Completeness [%]	100.0
Redundancy	190.5
CC(1/2)	0.966	0.401

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	293	21% PEG3000 (w/v), 0.2M ammonium sulfate, 0.1M bis-tris methane