7SS1

The structure of NTMT1 in complex with compound GD433

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	2020-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 65
Unit cell lengths	89.909, 89.909, 141.542
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.850 - 2.400
R-factor	0.2519
Rwork	0.248
R-free	0.29920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pvb
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.130	0.055	1.704
Rmeas	0.138	0.058	1.797
Rpim	0.046	0.020	0.568
Total number of observations	244434
Number of reflections	25773	2612	2554
<I/σ(I)>	5
Completeness [%]	99.6	98.6	100
Redundancy	9.5	8.4	10
CC(1/2)		0.999	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M CHES: NaOH (pH 9.5), 10% (w/v) PEG 3000