3MTS

Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1

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]	100
Detector technology	CCD
Collection date	2010-03-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97944
Spacegroup name	H 3 2
Unit cell lengths	99.528, 99.528, 118.321
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.830 - 2.200
R-factor	0.21005
Rwork	0.208
R-free	0.24379
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kna
RMSD bond length	0.012
RMSD bond angle	1.290
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.2.3)
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.084	0.044	0.502
Number of reflections	11662
<I/σ(I)>	10.9
Completeness [%]	100.0	99.7	100
Redundancy	9.3	8.8	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	3.5M Na Formate, 0.1M Bis-Tris Propane pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K