1PDQ

Polycomb chromodomain complexed with the histone H3 tail containing trimethyllysine 27.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97934
Spacegroup name	I 21 21 21
Unit cell lengths	32.120, 75.810, 80.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.760
R-factor	0.223
Rwork	0.223
R-free	0.25230 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 1KNA
RMSD bond length	0.006
RMSD bond angle	1.170 *
Data reduction software	HKL-2000
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.033 *	0.212 *
Number of reflections	9494
<I/σ(I)>	32.6	2.95
Completeness [%]	93.7	74.2
Redundancy	4.1	1.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	10 or 4 *	0.1 M Tris-HCl, 0.2 M Lithium sulfate, 30 % PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)	pH8.0
2	1	drop		50 (mM)
3	1	drop	protein	5 (mg/ml)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
5	1	reservoir		0.2 (M)
6	1	reservoir	PEG4000	30 (%)