6V2R

Crystal Structure of chromodomain of CBX7 mutant V13A 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	2015-05-15
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	40.193, 40.193, 83.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.460 - 1.600
R-factor	0.1957
Rwork	0.193
R-free	0.23540
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	isomorphous to PDB entry 5EPJ
RMSD bond length	0.014
RMSD bond angle	1.273
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	REFMAC
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.460	23.460	1.600
High resolution limit [Å]	1.570	8.620	1.570
Rmerge	0.041	0.026	0.548
Rmeas	0.042	0.028	0.572
Number of reflections	10074	88	484
<I/σ(I)>	43	92.9	5
Completeness [%]	100.0
Redundancy	12.9	8.3	12.6
CC(1/2)	1.000	1.000	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.5 M ammonium sulfate, 0.1 M bis-tris propane, pH 7