9FLQ

Crystal structure of human Haspin (GSG2) kinase bound to MU1959

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	2022-09-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	68.590, 77.993, 87.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.370 - 1.850
R-factor	0.17625
Rwork	0.175
R-free	0.20198
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.336
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]	44.370	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	40168	2261
<I/σ(I)>	14.2	1.7
Completeness [%]	98.9
Redundancy	13.4
CC(1/2)	0.999	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		278	60% MPD, 0.1M MMT pH 6.0