6X9I

Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	161.886, 77.698, 115.408
Unit cell angles	90.00, 125.67, 90.00

Refinement procedure

Resolution	45.210 - 2.200
R-factor	0.195
Rwork	0.194
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3swr
RMSD bond length	0.004
RMSD bond angle	0.683
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.210	2.330
High resolution limit [Å]	2.200	2.200
Rmerge	0.159	1.021
Rpim	0.076	0.662
Number of reflections	55268	4682
<I/σ(I)>	9.4	1.6
Completeness [%]	95.3	81.5
Redundancy	4.3
CC(1/2)		0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	292	14-18% polyethylene glycol (PEG) 3350, 0.1 M citric acid (pH 5.1)