8XEE

Human DNMT3B mutant-R823G

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	2022-07-13
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	P 31
Unit cell lengths	194.107, 194.107, 49.763
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.920 - 3.030
R-factor	0.2161
Rwork	0.215
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.529
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.140
High resolution limit [Å]	3.030	6.510	3.030
Rmerge		0.025	0.485
Rmeas		0.027	0.548
Rpim		0.011	0.252
Number of reflections	40728	4063	4065
<I/σ(I)>	14.7
Completeness [%]	100.0	99.6	100
Redundancy	5.2	5.8	4.6
CC(1/2)	0.971	1.000	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	HEPES (pH 7.5), MgCl2, 2-methyl-2,4-pentanediol, spermine