8Q69

Crystal structure of HsRNMT complexed with inhibitor DDD1060606

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-01
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	39.195, 84.574, 81.966
Unit cell angles	90.00, 99.03, 90.00

Refinement procedure

Resolution	40.470 - 1.960
R-factor	0.2444
Rwork	0.242
R-free	0.28920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.290	2.060
High resolution limit [Å]	1.960	1.960
Rmerge	0.097	0.619
Number of reflections	36929	4597
<I/σ(I)>	8.2	1.7
Completeness [%]	96.9	82.9
Redundancy	3.5	2.6
CC(1/2)	0.990	0.650

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