5LSZ

Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	59.475, 62.021, 77.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 1.620
R-factor	0.17323
Rwork	0.172
R-free	0.20053
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.460
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.450
High resolution limit [Å]	1.620
Number of reflections	169205
<I/σ(I)>	15.5
Completeness [%]	85.4
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Hepes pH7.3, 0.1MKSCN, 25-30%MPEG2000