4EQZ

Crystal structure of human DOT1L in complex with inhibitor FED2

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	2011-11-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97944
Spacegroup name	P 65
Unit cell lengths	150.009, 150.009, 53.244
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.150
R-factor	0.2001
Rwork	0.199
R-free	0.22110
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.015
RMSD bond angle	1.387
Data scaling software	SCALA (3.3.20)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	132.679	49.267	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.058	0.815
Total number of observations		13469	59395
Number of reflections	37551
<I/σ(I)>	15.2	8.3	0.9
Completeness [%]	100.0	99.8	100
Redundancy	11.2	10.7	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	3.5 M NaFormate, 0.1 M NaAcet, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K