6V2D

Crystal Structure of chromodomain of CDYL2 in complex with inhibitor UNC3866

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-23
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.979, 83.835, 115.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.050 - 2.100
R-factor	0.2146
Rwork	0.212
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	preliminary coordinates of PDB entries 5EPJ and 5EPK
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.430	38.430	2.050
High resolution limit [Å]	2.000	8.930	2.000
Rmerge	0.108	0.023	0.882
Rmeas	0.116	0.026	0.956
Number of reflections	28615	413	2176
<I/σ(I)>	14.7	54.7	2
Completeness [%]	92.1
Redundancy	6.9	5.8	6.5
CC(1/2)	0.998	0.999	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% P3350, 0.2M ammonium acetate, 0.1M HEPES, pH 7.5