7K3D

The structure of NTMT1 in complex with compound DC1-13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	74.860, 81.662, 84.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.170 - 2.340
R-factor	0.2107
Rwork	0.205
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dtn
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.340	5.060	2.350
Rmerge	0.237	0.076	0.894
Rmeas	0.271	0.089	1.020
Rpim	0.128	0.045	0.480
Number of reflections	19735	2002	2001
<I/σ(I)>	5.1
Completeness [%]	88.1	83.3	92
Redundancy	3.6	3.3	3.6
CC(1/2)		0.993	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.5 M Ammonium sulfate; 0.1 M MES pH 6.5