8Q8G

Crystal structure of HsRNMT complexed with inhibitor DDD1870799

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	39.977, 84.336, 81.990
Unit cell angles	90.00, 96.88, 90.00

Refinement procedure

Resolution	42.170 - 2.400
R-factor	0.1989
Rwork	0.196
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.170	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.156	0.853
Number of reflections	21196	2207
<I/σ(I)>	6.9	1.7
Completeness [%]	99.9	99.9
Redundancy	3.7	3.7
CC(1/2)	0.980	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	0.1 M MES pH 6.3-6.9, 50 mM Na2SO4, 18-25 % PEG 6000