8A5J

Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 41 21 2
Unit cell lengths	111.410, 111.410, 170.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.290 - 2.123
R-factor	0.243
Rwork	0.243
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.009
RMSD bond angle	0.980
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.290	2.263
High resolution limit [Å]	2.125	2.125
Rmerge	0.120
Rpim	0.033
Number of reflections	52591	2632
<I/σ(I)>	20.2
Completeness [%]	86.1
Redundancy	20
CC(1/2)	1.000	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Ammonium citrate pH 7.0, 18% PEG3350