9FLT

Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999990
Spacegroup name	P 21 21 21
Unit cell lengths	75.558, 75.891, 84.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.220 - 2.400
R-factor	0.18669
Rwork	0.184
R-free	0.23881
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.469
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]	45.220	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	19530	2013
<I/σ(I)>	12
Completeness [%]	99.9
Redundancy	3.4
CC(1/2)	0.998	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	278	45% MPD 0.1M SPG 6.5