6B41

Menin bound to M-525

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	I 41
Unit cell lengths	153.920, 153.920, 81.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.670 - 2.610
R-factor	0.211
Rwork	0.209
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u84
RMSD bond length	0.010
RMSD bond angle	1.140
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.660
High resolution limit [Å]	2.610	7.080	2.610
Rmerge	0.102	0.049	0.665
Rmeas	0.106	0.052	0.696
Rpim	0.031	0.016	0.201
Total number of observations	350677
Number of reflections	29090	1521	1414
<I/σ(I)>	7.7
Completeness [%]	99.8	100	96.6
Redundancy	12.1	10.5	11
CC(1/2)		0.998	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	1.96 M NaCl, 89 mM Bis-Tris pH 6.8, 0.178 M MgCl2 and 10.7 mM Pr Acetate