9RPP

MeCP2 MBD domain (S134C) in complex with hydroxymethylated CA repeat DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.53067
Spacegroup name	C 1 2 1
Unit cell lengths	62.337, 41.713, 65.273
Unit cell angles	90.00, 95.44, 90.00

Refinement procedure

Resolution	64.980 - 2.180
R-factor	0.2255
Rwork	0.224
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	0.647
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.980	2.259
High resolution limit [Å]	2.180	2.180
Number of reflections	6543	111
<I/σ(I)>	17.4	0.77
Completeness [%]	73.5	13.15
Redundancy	11.2	2.6
CC(1/2)	1.000	0.393

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	50 mM HEPES 7.5, 200 mM NH4Cl, 34% PEG 2000 and 1 mM CaCl2