3OOI

Crystal Structure of Human Histone-Lysine N-methyltransferase NSD1 SET domain in Complex with S-adenosyl-L-methionine

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	2009-11-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8103
Spacegroup name	P 21 21 21
Unit cell lengths	65.875, 67.751, 69.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.610 - 1.750
R-factor	0.16514
Rwork	0.164
R-free	0.18639
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.196
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge		0.057	0.428
Number of reflections	31587
<I/σ(I)>		27	4.8
Completeness [%]	99.7	97.9	100
Redundancy		5.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M lithium sulfate, 0.1M HEPES, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M lithium sulfate, 0.1M HEPES, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K