9CUW

Crystal Structure of SETDB1 Tudor domain in complex with UNC100013

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	37.153, 55.132, 118.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.370 - 1.530
R-factor	0.16308
Rwork	0.162
R-free	0.19463
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.220
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	1.560
High resolution limit [Å]	1.530	4.150	1.530
Rmerge	0.087	0.071	0.938
Rmeas	0.091	0.074	0.983
Rpim	0.026	0.021	0.289
Total number of observations	458061
Number of reflections	37684	2068	1862
<I/σ(I)>	8.2
Completeness [%]	100.0	100	100
Redundancy	12.2	11.3	11.2
CC(1/2)	0.996	0.998	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 8000, 0.2M NaCl, 0.1M HEPES pH 7.5, 5% Ethyl Glyceol