4GNG

Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3K9me3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97837
Spacegroup name	P 21 21 21
Unit cell lengths	56.200, 59.960, 95.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.100 - 1.730
R-factor	0.1831
Rwork	0.181
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gne
RMSD bond length	0.009
RMSD bond angle	1.314
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.740	37.288	1.820
High resolution limit [Å]	1.730	5.470	1.730
Rmerge		0.048	0.556
Rmeas		0.053	0.616
Rpim		0.022	0.261
Total number of observations		6526	26673
Number of reflections	34350
<I/σ(I)>	10.8	21.9	3.3
Completeness [%]	100.0	98.9	100
Redundancy	5.8	5.5	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	0.1M Mes pH 6.5, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 283K