5W3D

The structure of kinesin-14 wild-type Ncd-ADP dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	163.271, 67.249, 94.421
Unit cell angles	90.00, 97.92, 90.00

Refinement procedure

Resolution	46.800 - 2.790
R-factor	0.2376
Rwork	0.235
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n6m
RMSD bond length	0.008
RMSD bond angle	1.290
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.521	46.761	2.940
High resolution limit [Å]	2.789	8.820	2.790
Rmerge		0.045	0.533
Rmeas	0.100	0.050	0.586
Rpim	0.041	0.020	0.240
Total number of observations	146928	4428	20165
Number of reflections	25309
<I/σ(I)>	11.5	28.6	2.7
Completeness [%]	99.1	99	94.7
Redundancy	5.8	5.2	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	291	50 mM sodium phosphate, 7 mM dithiothreitol, 10 mM magnesium chloride, 700 mM sodium chloride, 13% PEG8000 (w/v)