3H91

Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Collection date	2009-01-21
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	58.145, 84.013, 65.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 1.500
R-factor	0.21015
Rwork	0.209
R-free	0.22299
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.461
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.200	2.590	1.200
Rmerge	0.046	0.022	0.695
Number of reflections	26030
<I/σ(I)>	38.995
Completeness [%]	93.8	99.2	61.7
Redundancy	8.1	9.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	30% PEG3350, 0.1 M Tris, pH8.5, 0.2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K