5EPJ

Crystal Structure of chromodomain of CBX7 in complex with inhibitor UNC3866

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-16
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	40.286, 40.286, 82.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.170 - 1.600
R-factor	0.2382
Rwork	0.237
R-free	0.25990
RMSD bond length	0.015
RMSD bond angle	1.589
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.170	36.170	1.630
High resolution limit [Å]	1.600	8.770	1.600
Rmerge	0.039	0.023	0.187
Rmeas	0.040	0.025	0.196
Rpim	0.011	0.008	0.056
Total number of observations	117543	755	5495
Number of reflections	9487
<I/σ(I)>	51.8	86.3	13.8
Completeness [%]	99.9	99.8	98.2
Redundancy	12.4	8.6	12.3
CC(1/2)	1.000	1.000	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 3350, 0.2 M ammonium formate