6G27

X-ray structure of NSD3-PWWP1 in complex with compound 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	44.466, 48.116, 63.494
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.350 - 1.650
R-factor	0.207
Rwork	0.206
R-free	0.22700
RMSD bond length	0.008
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	BALBES
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.350	1.653
High resolution limit [Å]	1.648	1.648
Rmerge	0.061	0.800
Rmeas	0.067	0.440
Rpim	0.026	0.170
Number of reflections	17031	5840
<I/σ(I)>	15.4	2.2
Completeness [%]	100.0	100
Redundancy	6.5	6.6
CC(1/2)	0.998	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	100mM Morpheus Buffer 3, 30% P550MME_P20K, 10% Morpheus Ethylene glycols