7YZ6

Molecular snapshots of drug release from tubulin: Dark (steady state)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	74.280, 91.870, 83.690
Unit cell angles	90.00, 96.82, 90.00

Refinement procedure

Resolution	73.750 - 2.100
R-factor	0.1713
Rwork	0.169
R-free	0.22030
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]	92.110	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	43965	945
<I/σ(I)>	10.09	1.62
Completeness [%]	67.0
Redundancy	602.5
CC(1/2)	0.996	0.660

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)