6M4I

Structure of CENP-E motor domain at 1.9 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-05-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	96.825, 82.839, 49.372
Unit cell angles	90.00, 100.85, 90.00

Refinement procedure

Resolution	19.920 - 1.900
R-factor	0.2209
Rwork	0.217
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t5c
RMSD bond length	0.009
RMSD bond angle	1.559
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	95.095	19.916	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.034	0.830
Rmeas	0.052	0.037	0.897
Rpim	0.020	0.014	0.337
Total number of observations	414345	12575	61149
Number of reflections	60258	1916	8718
<I/σ(I)>	18.2	54.7	2.6
Completeness [%]	99.8	97	99.8
Redundancy	6.9	6.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Tris-HCl (pH 7.5), PEG 3350, PIPES-NaOH (pH 6.8), NaCl, MgCl2, EGTA-NaOH, TCEP, sucrose, CENP-E, CIBA