3RE2

Crystal structure of menin reveals the binding site for Mixed Lineage Leukemia (MLL) protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 43 21 2
Unit cell lengths	89.881, 89.881, 115.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.16349
Rwork	0.161
R-free	0.21145
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.602
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.091	0.780
Number of reflections	35267
<I/σ(I)>	34.8	3.8
Completeness [%]	99.9	100
Redundancy	13.8	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	283	20% PEG 3350, 0.1 M Bis-Tris pH 6.0, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 283K
1	VAPOR DIFFUSION, HANGING DROP	6	283	20% PEG 3350, 0.1 M Bis-Tris pH 6.0, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 283K