3FDT

Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	200
Collection date	2008-11-14
Wavelength(s)	0.97948
Spacegroup name	P 41 21 2
Unit cell lengths	73.123, 73.123, 28.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.710 - 2.000
R-factor	0.19928
Rwork	0.197
R-free	0.25739
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f2u
RMSD bond length	0.017
RMSD bond angle	1.883
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.086	0.067	0.381
Number of reflections	5592
Completeness [%]	99.6	99.5	96.9
Redundancy	12.1	12.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	35% PEG 400, 0.2M Na Cl, 0.1M Tris (pH 8.5), VAPOR DIFFUSION, HANGING DROP, temperature 298K