36XS

Structure of MBD4 R512K/D560N on a T:G Mispair

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	42.275, 54.142, 104.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.318 - 1.570
Rwork	0.204
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.358
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.320	1.630
High resolution limit [Å]	1.570	1.570
Rmerge	0.123	1.542
Rmeas	0.129	1.702
Number of reflections	31547	2180
<I/σ(I)>	9.6	1.2
Completeness [%]	91.8	64.65
Redundancy	10.8	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	34-35% ethylene glycol