9C93

Crystal structure of menin in complex with inhibitor compound 26

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-28
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	56.559, 87.291, 194.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.380 - 1.850
R-factor	0.1819
Rwork	0.180
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.858
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.380	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.102	0.733
Rmeas	0.113	0.918
Rpim	0.046	0.449
Number of reflections	82556	14869
<I/σ(I)>	11.5	1.7
Completeness [%]	99.0	88.1
Redundancy	5.5	3.8
CC(1/2)	0.997	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG 3350, 0.1M HEPES pH6.9, 0.2M K Thiocyanate, 4% Isopropanol, 1% Tacsimate