9WNJ

[M322I] Menin complexed with KO-539

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	2022-12-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95374
Spacegroup name	P 21 21 21
Unit cell lengths	58.666, 82.114, 203.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.780 - 2.000
R-factor	0.16809
Rwork	0.166
R-free	0.20691
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e90
RMSD bond length	0.010
RMSD bond angle	1.617
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]	47.780	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	92224	4531
<I/σ(I)>	16.1
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.999	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	19%(w/v) PEG3350, 0.2M POTASIUM THIOCYANATE, 0.1M MES PH=6.2, 20%(v/v) ETHYLENE GLYCOL, PH 6.2