7YUN

Crystal structure of human BEND6 BEN domain in complex with methylated DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-20
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 1 21 1
Unit cell lengths	39.482, 67.276, 53.019
Unit cell angles	90.00, 100.72, 90.00

Refinement procedure

Resolution	34.340 - 2.130
R-factor	0.18694
Rwork	0.184
R-free	0.23356
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yuk
RMSD bond length	0.009
RMSD bond angle	1.647
Data reduction software	SAINT (3.27)
Data scaling software	SAINT (5.8.0267)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.340	2.160
High resolution limit [Å]	2.130	2.130
Rmerge	0.056	0.240
Number of reflections	15367	622
<I/σ(I)>	17.36	4.5
Completeness [%]	99.9	99.8
Redundancy	4.77	3.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M carboxylic acids, 0.1 M imidazole, 0.1 M MES monohydrate (acid) (pH 6.5), 12.5% MPD (v/v), 12.5 % PEG 1000 (v/v), and 12.5% PEG 3350 (w/v).