6E1A

Menin bound to M-89

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	2015-11-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	I 41
Unit cell lengths	154.210, 154.210, 82.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.770 - 3.100
R-factor	0.19
Rwork	0.188
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u84
RMSD bond length	0.009
RMSD bond angle	0.980
Data reduction software	HKL-2000
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	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.072	0.032	0.417
Rmeas	0.074	0.034	0.431
Rpim	0.020	0.011	0.110
Total number of observations	251403
Number of reflections	17860	933	902
<I/σ(I)>	8.4
Completeness [%]	100.0	100	100
Redundancy	14.1	9.4	15.3
CC(1/2)		0.998	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	2.0 M sodium chloride, 90.9 M Bis-Tris pH 6.5, 0.182 M Magnesium chloride, 9 mM Praseodymium Acetate