7KZ1

Human MBD4 glycosylase domain bound to DNA containing an abasic site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	40.669, 54.292, 98.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.610 - 1.620
R-factor	0.1829
Rwork	0.182
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dk9
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.610	37.610	1.650
High resolution limit [Å]	1.620	8.880	1.620
Rpim	0.058	0.023	1.537
Number of reflections	28461	222	1361
<I/σ(I)>	6.2
Completeness [%]	99.9	99.4	98.3
Redundancy	13	11.5	12
CC(1/2)	0.996	0.998	0.239

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG400, Tris-HCl