6DTN

The structure of NTMT1 in complex with compound DC100-1

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	2018-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 31 2 1
Unit cell lengths	73.166, 73.166, 82.361
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.570 - 1.475
R-factor	0.1691
Rwork	0.168
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e1m
RMSD bond length	0.011
RMSD bond angle	1.187
Data reduction software	HKL-2000 (denzo)
Data scaling software	HKL-2000 (scalepack)
Phasing software	PHASER (with PHENIX)
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.570	1.510
High resolution limit [Å]	1.470	1.470
Rmeas	0.142	4.939
Rpim	0.062	2.158
Number of reflections	43110	3067
<I/σ(I)>	9.9	0.4
Completeness [%]	99.3	97
Redundancy	9.9	9.8

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