7CAJ

Crystal structure of SETDB1 Tudor domain in complexed with Compound 2.

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	2020-01-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	56.678, 86.567, 101.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.339 - 2.198
R-factor	0.2033
Rwork	0.200
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bhd
RMSD bond length	0.014
RMSD bond angle	1.262
Data reduction software	HKL-3000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.100	2.200
Number of reflections	26014
<I/σ(I)>	47.298
Completeness [%]	100.0
Redundancy	9.3
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2M Potassium fluoride 20%PEG3350,pH6.9