8IYA

Complex of SETDB1-derived peptide bound to UBE2E1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-12
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	C 1 2 1
Unit cell lengths	102.747, 50.077, 109.248
Unit cell angles	90.00, 91.75, 90.00

Refinement procedure

Resolution	41.420 - 2.430
R-factor	0.2069
Rwork	0.205
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.136
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.200	2.570
High resolution limit [Å]	2.430	2.430
Rmerge	0.131	0.633
Rmeas	0.148
Rpim	0.067	0.311
Number of reflections	21079	14473
<I/σ(I)>	7	2.5
Completeness [%]	99.7	99.9
Redundancy	4.6	4.8
CC(1/2)	0.989	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.0 M Lithium sulfate, 0.1 M MES pH6.5