9CUX

Crystal Structure of SETDB1 Tudor domain in complex with UNC100016

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.18061
Spacegroup name	P 21 21 21
Unit cell lengths	52.834, 60.663, 70.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.890 - 1.270
R-factor	0.16004
Rwork	0.159
R-free	0.18119
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.269
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.290
High resolution limit [Å]	1.270	3.450	1.270
Rmerge	0.052	0.029	0.916
Rmeas	0.054	0.031	0.974
Rpim	0.016	0.009	0.325
Total number of observations	702625
Number of reflections	60159	3255	2968
<I/σ(I)>	11.3
Completeness [%]	100.0	99.9	99.9
Redundancy	11.7	11.7	8.5
CC(1/2)	1.000	1.000	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% P3350, 0.1M NH4SO4, 0.1M Bis-Tris pH 6.5