9WKX

[M322I] Menin complexed with DS-1594

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95374
Spacegroup name	P 21 21 21
Unit cell lengths	57.628, 88.043, 196.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.260 - 2.250
R-factor	0.1917
Rwork	0.189
R-free	0.23867
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e90
RMSD bond length	0.008
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.320
High resolution limit [Å]	2.230	2.230
Number of reflections	48964	3956
<I/σ(I)>	8.6
Completeness [%]	98.8
Redundancy	13.3
CC(1/2)	0.993	0.442

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	19%(w/v) PEG3350, 0.2 M POTASIUM THIOCYANATE, 0.1 M MES PH=6.3, 20%(v/v) ETHYLENE GLYCOL, PH 6.5