4GNF

Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-15

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
Collection date	2011-11-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97838
Spacegroup name	I 2 2 2
Unit cell lengths	60.030, 62.710, 62.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.700 - 1.550
R-factor	0.1625
Rwork	0.160
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gne
RMSD bond length	0.008
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]	44.389	31.355	1.630
High resolution limit [Å]	1.550	4.900	1.550
Rmerge		0.042	0.423
Rmeas		0.046	0.457
Rpim		0.018	0.173
Total number of observations		3528	17506
Number of reflections	17540
<I/σ(I)>	13.2	28.9	3.4
Completeness [%]	99.8	93.4	100
Redundancy	6.8	6.2	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	283	0.1M Hepes pH 7.5, 70% v/v MPD, VAPOR DIFFUSION, HANGING DROP, temperature 283K