7X9D

DNMT3B in complex with harmine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-16
Detector	RAYONIX MX-300
Wavelength(s)	1.00000
Spacegroup name	C 2 2 21
Unit cell lengths	72.023, 236.161, 230.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.940 - 3.080
R-factor	0.2151
Rwork	0.213
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kdp
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.200
High resolution limit [Å]	3.080	6.640	3.090
Rmerge	0.084	0.028	0.537
Rmeas	0.095	0.032	0.603
Rpim	0.042	0.015	0.270
Number of reflections	35934	3664	3283
<I/σ(I)>	8
Completeness [%]	97.7	94.4	91
Redundancy	5.2	4.4	4.6
CC(1/2)		0.998	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	bis-tris propane pH 7.0, sodium formate