8CLF

Z-SolQ2Br bound to tubulin (T2R-TTL) 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 21 21 21
Unit cell lengths	106.650, 160.330, 180.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.350 - 2.700
R-factor	0.1689
Rwork	0.168
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.864
Data reduction software	CrystFEL (0.8.0)
Data scaling software	CrystFEL (0.8.0)
Phasing software	PHENIX (1.20_4487)
Refinement software	PHENIX (1.20_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.350	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	95765	9439
<I/σ(I)>	6.13	0.59
Completeness [%]	100.0
Redundancy	381.3
CC(1/2)	0.976	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	293	6% PEG4000 (w/v), 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine