7YYY

Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation

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	2020-09-04
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	74.530, 92.580, 83.990
Unit cell angles	90.00, 96.71, 90.00

Refinement procedure

Resolution	9.490 - 2.200
R-factor	0.3061
Rwork	0.305
R-free	0.34880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nqt
Data reduction software	CrystFEL (0.9.1)
Data scaling software	CrystFEL (0.9.1)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.090	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	122150	12154
<I/σ(I)>	4.05	0.43
Completeness [%]	100.0
Redundancy	404.2
CC(1/2)	0.972	0.210

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Ammonium sulfate, 0.1M Bis/Tris-methane pH=5.5, 21% PEG 3000 (m/v)