9RPQ

MeCP2 MBD domain (P152R) 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	2023-11-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	C 1 2 1
Unit cell lengths	62.646, 44.104, 65.771
Unit cell angles	90.00, 92.53, 90.00

Refinement procedure

Resolution	36.050 - 1.920
R-factor	0.2223
Rwork	0.220
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	0.736
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]	65.700	1.990
High resolution limit [Å]	1.920	1.920
Number of reflections	13720	23
<I/σ(I)>	9.11	0.36
Completeness [%]	75.0
Redundancy	11.4
CC(1/2)	0.998	0.100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM MES 6.5, 200 mM NH4Cl, 32% PEG 2000 and 1 mM CaCl2