7YHN

ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	81.870, 102.030, 131.130
Unit cell angles	90.00, 106.91, 90.00

Refinement procedure

Resolution	78.330 - 2.600
R-factor	0.2321
Rwork	0.230
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ls4
RMSD bond length	0.005
RMSD bond angle	0.868
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.330	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.046
Number of reflections	63088	3167
<I/σ(I)>	15
Completeness [%]	99.1
Redundancy	3.4
CC(1/2)	0.998	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	6% PEG 4000, 8% GLYCEROL, 30MM MAGNESIUM CHLORIDE, 30MM CALCIUM CHLORIDE, 100MM MES