24UH

Crystal structure of Haspin (GSG2) with an ATP-mimicking competitive inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-02-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	75.859, 78.560, 82.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.460 - 1.730
R-factor	0.1744
Rwork	0.173
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9wgw
RMSD bond length	0.006
RMSD bond angle	0.968
Data reduction software	autoXDS
Data scaling software	autoXDS
Phasing software	PHASER
Refinement software	PHENIX (2.0_5885)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.460	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.116
Rpim	0.032
Number of reflections	51929	10
<I/σ(I)>	17.5
Completeness [%]	100.0
Redundancy	13.7
CC(1/2)	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, 25% (v/v) polyethylene glycol 4000