3SX0

Crystal structure of Dot1l in complex with a brominated SAH analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 65
Unit cell lengths	152.917, 152.917, 50.964
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.633 - 2.280
R-factor	0.21
Rwork	0.209
R-free	0.22810
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3qow nearly isomorphous structure coordinates used without transformation
RMSD bond length	0.012
RMSD bond angle	1.343
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.280	4.910	2.280
Rmerge	0.074	0.041	0.822
Number of reflections	31477
<I/σ(I)>	11.6
Completeness [%]	100.0	99.8	100
Redundancy	6.1	6.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	291	1.5 M ammonium sulfate, 0.1 M sodium acetate, 0.0015 M ligand, pH 4.6, vapor diffusion, temperature 291K, VAPOR DIFFUSION