1MT6

Structure of histone H3 K4-specific methyltransferase SET7/9 with AdoHcy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97780
Spacegroup name	I 2 2 2
Unit cell lengths	70.347, 76.038, 166.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.640 - 2.200
R-factor	0.226
Rwork	0.226
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.041 *
RMSD bond angle	3.300 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.080 *
Number of reflections	21496	1768 *
Completeness [%]	93.0	77.1
Redundancy	3.6 *	2.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	10 *	PEG 4000, sodium citrate, Isopropanol, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 283K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	imidazole	20 (mM)	pH7.0
3	1	drop		100 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	reservoir	sodium citrate	0.1 (M)	pH5.6
6	1	reservoir	PEG4000	20 (%(w/v))
7	1	reservoir	isopropanol	20 (%(v/v))