7CNM

YDX 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	2016-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	105.127, 155.022, 186.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	119.160 - 2.440
R-factor	0.2026
Rwork	0.201
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (3.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	119.160	50.000	2.540
High resolution limit [Å]	2.440	5.280	2.450
Rmerge	0.075	0.026	0.754
Rmeas	0.082	0.028	0.820
Rpim	0.032	0.011	0.319
Number of reflections	113201	11806	11169
<I/σ(I)>	6.5
Completeness [%]	100.0	99.8	100
Redundancy	6.4	6.2	6.5
CC(1/2)		0.999	0.810

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