7DAF

IXA 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	105.162, 158.179, 181.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.497 - 2.400
R-factor	0.1749
Rwork	0.174
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	2.440
High resolution limit [Å]	2.396	6.510	2.400
Rmerge	0.180	0.055
Rmeas	0.187	0.058
Rpim	0.082	0.016	0.667
Number of reflections	118678	6280	5860
<I/σ(I)>	4.5
Completeness [%]	100.0	99.5	100
Redundancy	13.1	12.2	12.2
CC(1/2)		0.998	0.715

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