6O5I

Menin in complex with MI-3454

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	49.092, 79.843, 124.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.744 - 1.240
R-factor	0.128174324274
Rwork	0.126
R-free	0.16377
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x5y
RMSD bond length	0.013
RMSD bond angle	1.315
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.280
High resolution limit [Å]	1.240	1.240
Rmerge	0.079	0.697
Number of reflections	138482	13583
<I/σ(I)>	18.03
Completeness [%]	99.8
Redundancy	7.2

Crystallization Conditions

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