7CD9

Crystal Structure of SETDB1 tudor domain in complexed with Compound 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97849
Spacegroup name	P 1 21 1
Unit cell lengths	56.794, 74.938, 59.329
Unit cell angles	90.00, 90.73, 90.00

Refinement procedure

Resolution	29.662 - 1.600
R-factor	0.1932
Rwork	0.192
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bhd
RMSD bond length	0.010
RMSD bond angle	1.114
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	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	64717	3196
<I/σ(I)>	30.257
Completeness [%]	98.6
Redundancy	6.9
CC(1/2)	0.996	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M Sodium citrate tribasic dihydrate 20% PEG3350 PH 8.3