7DBD

444 in complex with tubulin

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	2018-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	104.641, 158.289, 182.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.874 - 3.094
R-factor	0.1921
Rwork	0.190
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.150
High resolution limit [Å]	3.094	8.400	3.100
Rmerge	0.303	0.172	1.431
Rmeas	0.316	0.180	1.492
Rpim	0.088	0.052	0.419
Number of reflections	54906	2966	2671
<I/σ(I)>	3.2
Completeness [%]	100.0	99.8	100
Redundancy	12.8	12.1	12.5
CC(1/2)		0.851	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	6% PEG, 5% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCL2, pH 6.7