6J9J

crystal structure of SESTD2 in complex with H3.3S31phK36M peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	61.112, 77.014, 77.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.010 - 1.780
R-factor	0.19
Rwork	0.189
R-free	0.20560
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.075	0.059	0.365
Rmeas	0.082	0.064	0.399
Rpim	0.032	0.025	0.160
Total number of observations	233252
Number of reflections	35792	1956	1720
<I/σ(I)>	6.8
Completeness [%]	99.8	99.9	97
Redundancy	6.5	6.2	5.9
CC(1/2)		0.995	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2M potassium thiocyanate, 0.1M Bis-Tris propane,20% PEG 3350