6PVB

The structure of NTMT1 in complex with compound 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 31 2 1
Unit cell lengths	72.947, 72.947, 82.089
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.480 - 1.500
R-factor	0.2057
Rwork	0.205
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dtn
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	41225	2962
<I/σ(I)>	14.5	0.4
Completeness [%]	99.8	98.3
Redundancy	5.3	5.3
CC(1/2)	1.000	0.170

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.5 M lithium sulfate, 0.1 M sodium HEPES 7.5