4X5Y

Menin in complex with MI-503

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	2014-02-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0331
Spacegroup name	P 21 21 21
Unit cell lengths	48.378, 79.732, 124.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.970 - 1.590
R-factor	0.1737
Rwork	0.172
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.726
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.620
High resolution limit [Å]	1.590	4.320	1.590
Rmerge	0.075	0.039	0.810
Total number of observations	461798
Number of reflections	65752
<I/σ(I)>	8.8
Completeness [%]	100.0	99.7	100
Redundancy	7	6.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	283	0.2 M ammonium acetate, 0.1 M HEPES and 25% w/v PEG 3,350. This solution was mixed 1:1 with 2.5mg/mL protein in 50mM Tris-HCl, 50mM NaCl, and 1mM TCEP. Prior to data collection, crystals were transferred into a cryo-solution containing 20% PEG550 MME and flash-frozen in liquid nitrogen