8RDK

Crystal structure of human Haspin (GSG2) kinase bound to MD420

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976254
Spacegroup name	P 21 21 21
Unit cell lengths	69.509, 78.199, 86.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.010 - 2.000
R-factor	0.19868
Rwork	0.197
R-free	0.23294
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.544
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.870	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	32717	2387
<I/σ(I)>	12.1
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.999	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	51% MPD 0.1M SPG 7.5