8VA5

Menin mutant - T349M in complex with Ziftomenib (KO-539)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2023-04-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	49.057, 80.034, 124.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.344 - 1.300
Rwork	0.161
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.005
Data reduction software	HKL-2000 (722)
Data scaling software	HKL-2000 (722)
Phasing software	MOLREP (11.0 /22.07.2010/)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.133	0.981
Number of reflections	120002	0
<I/σ(I)>	24.51	2.03
Completeness [%]	98.9	96.1
Redundancy	6.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.2 M lithium sulfate, 0.1 M HEPES, pH 7.5, 25% (w/v) PEG-3,350