1PFB

Structural Basis for specific binding of polycomb chromodomain to histone H3 methylated at K27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	I 21 21 21
Unit cell lengths	32.429, 77.033, 77.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.400
Rwork	0.197
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006 *
RMSD bond angle	1.290 *
Data reduction software	MADNESS
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.042 *	0.195 *
Total number of observations	85538 *
Number of reflections	17050	811 *
Completeness [%]	86.8	42.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	16 *	30% PEG8000, 200mM ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	Tris	5 (%)	pH8.0
3	1	drop		200 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop	dithiothreitol	1 (mM)
6	1	reservoir	sodium cacodylate	100 (mM)	pH6.5
7	1	reservoir	ammonium sulfate	0.2 (M)
8	1	reservoir	PEG8000	30 (%)
9	1	reservoir	dithiothreitol	10 (mM)