8HFH

CENP-E motor domain in complex with AMPPNP and Mg2+

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	2020-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	98.576, 46.215, 73.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 1.800
R-factor	0.1654
Rwork	0.161
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m4i
RMSD bond length	0.011
RMSD bond angle	1.683
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.718	10.000	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.043	0.501
Rmeas	0.119	0.047	0.573
Rpim	0.047	0.019	0.273
Number of reflections	31976	1103	4588
<I/σ(I)>	12.3	14.3	1.5
Completeness [%]	99.9	97.6	99.8
Redundancy	6.3	5.8	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	MES, PEG3350, PIPES-NaOH, NaCl, MgCl2, EGTA, TCEP, sucrose, CENP-E, AMPPNP