7AU5

Tubulin-noscapine-analogue-14e complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	104.642, 157.838, 180.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.880 - 2.200
R-factor	0.1793
Rwork	0.178
R-free	0.21230
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5lxt
RMSD bond length	0.002
RMSD bond angle	0.512
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.880	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.079	2.003
Rmeas	0.082	2.103
Number of reflections	149600	14004
<I/σ(I)>	24.5	1.09
Completeness [%]	98.6	93.26
Redundancy	13.2	10.8
CC(1/2)	1.000	0.417

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	4 % PEG 4K, 7 % glycerol, 30 mM MgCl2, 30 mM CaCl2, 5 mM L-tyrosine and 100 mM MES/Imidazole pH 6.5