1NW3

Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone methyltransferase

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	2002-07-21
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 65
Unit cell lengths	152.800, 152.800, 50.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.204
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.380 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Rmerge	0.059
Total number of observations	175389 *
Number of reflections	23800 *
<I/σ(I)>	18.3
Completeness [%]	96.3
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8 *	290	Ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K
1	Vapor diffusion *	8 *	290	Ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25-30 (mg/ml)
2	1	drop	Tris	20 (mM)	pH8.0
3	1	drop		200 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop	dithiothreitol	1 (mM)
6	1	drop	SAM	3 (mM)
7	1	reservoir	sodium acetate	0.1 (M)
8	1	reservoir	ammonium sulfate	1.3-1.9 (M)
9	1	reservoir	TCEP	1-3 (mM)