6BXY

Menin in complex with MI-1481

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	2015-04-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0331
Spacegroup name	P 21 21 21
Unit cell lengths	47.319, 80.539, 122.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.270 - 1.820
R-factor	0.1758
Rwork	0.174
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x5y
RMSD bond length	0.015
RMSD bond angle	1.344
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	1.860
High resolution limit [Å]	1.820	1.820
Rmerge	0.083	0.677
Number of reflections	42152	1972
<I/σ(I)>	20.8
Completeness [%]	98.6
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		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