5WW0

Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-16
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 65 2 2
Unit cell lengths	66.119, 66.119, 259.073
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.000 - 2.100
R-factor	0.179
Rwork	0.176
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kma
RMSD bond length	0.018
RMSD bond angle	1.799
Data reduction software	HKL-2000 (2.3.9)
Data scaling software	HKL-2000 (2.3.9)
Phasing software	Sir2014 (16.10)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.087	0.824
Number of reflections	19879
<I/σ(I)>	4
Completeness [%]	95.0	93
Redundancy	10.6	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	286	30% ethylene glycol (cryoprotectant for 101)250mM Ammonium Sulfate, 14% PEG 3.350, 1(protein):1(buffer):0.4 ratio of 0.3M Glycyl-glycyl-glycine (~48mM final conc), Protein concentration(4mg/mL), Protein buffer(10mM Tris pH 7.5) Temperature(13), Well volume(500ul), 5uL of HCL (12.1M) was added to the reservoir drop prior to drop setup