7OA9

Crystal structure of Human Menin in complex with Fragment 21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 43 2 2
Unit cell lengths	107.399, 107.399, 107.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.210 - 2.098
R-factor	0.1987
Rwork	0.197
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ddc
RMSD bond length	0.008
RMSD bond angle	0.828
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.173
High resolution limit [Å]	2.098	2.098
Rmerge	0.090	0.582
Rmeas	0.090	0.599
Number of reflections	37566	3674
<I/σ(I)>	22
Completeness [%]	99.9	99.7
Redundancy	17.6	12
CC(1/2)	0.999	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	12% PEG 3350 14% Glycerol