5H7O

Crystal structure of DJ-101 in complex with tubulin protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-18
Detector	PSI PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	105.199, 157.029, 182.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.21637
Rwork	0.214
R-free	0.25623
RMSD bond length	0.007
RMSD bond angle	1.139
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800
Number of reflections	75002
<I/σ(I)>	19.3
Completeness [%]	100.0
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	6% poly(ethylene glycol) 4000, 8% glycerol, 0.1 M Mes, 30 mM CaCl2 and 30 mM MgCl2 (pH 6.7)