8WS1

Crystal structure of human NEK7 D161N mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 31 2 1
Unit cell lengths	87.894, 87.894, 155.319
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.990 - 2.400
R-factor	0.18234
Rwork	0.179
R-free	0.23837
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5de2
RMSD bond length	0.007
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.990	2.530
High resolution limit [Å]	2.400	2.400
Number of reflections	27883	4011
<I/σ(I)>	14.9	2.5
Completeness [%]	100.0
Redundancy	10.1
CC(1/2)	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Tris pH 8.4, PEG 8000 15%