7D8F

The crystal structure of ScNTM1 in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	38.402, 52.148, 120.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.910 - 1.150
R-factor	0.123
Rwork	0.122
R-free	0.13980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ex4
RMSD bond length	0.007
RMSD bond angle	1.058
Data reduction software	HKL-2000 (1.10.1_2155)
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.120
High resolution limit [Å]	1.100	1.100
Rmeas	0.064
Rpim	0.018
Number of reflections	88586	2039
<I/σ(I)>	28.6
Completeness [%]	89.7	42
Redundancy	12.8	3.3
CC(1/2)	0.997	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	2.8M sodium acetate trihydrate pH 7.0, 3.5M sodium formate pH 7.0, 20% PEG3350,0.2M magnesium nitrate hexahydrate