5NAF

Co-crystal structure of an MeCP2 peptide with TBLR1 WD40 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	42.628, 58.643, 155.101
Unit cell angles	97.63, 91.17, 90.24

Refinement procedure

Resolution	49.639 - 2.493
R-factor	0.2053
Rwork	0.203
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lg9
RMSD bond length	0.004
RMSD bond angle	0.707
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.640	2.582
High resolution limit [Å]	2.493	2.493
Rmerge	0.085	0.443
Number of reflections	50648	4583
<I/σ(I)>	9.91	2.27
Completeness [%]	98.0	88
Redundancy	2.4	2.4
CC(1/2)	0.973	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	100 mM MOPS pH 7.5 PEG 3350 18%