8VA6

Menin 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	2016-06-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	48.395, 80.181, 124.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.467 - 1.570
Rwork	0.158
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.825
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	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.072	0.772
Number of reflections	68768	0
<I/σ(I)>	33.4	2.13
Completeness [%]	100.0	100
Redundancy	6.9	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M lithium sulfate, 0.1 M HEPES, pH 7.5, 25% (w/v) PEG-3,350