9ISZ

Structure of Clr4 catalyzing K14-ubiquitinated histone H3 K9 methylation

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	2023-05-22
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979176
Spacegroup name	P 21 21 21
Unit cell lengths	53.175, 105.977, 131.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.530 - 2.600
R-factor	0.2332
Rwork	0.231
R-free	0.27390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bp4 1ubq
RMSD bond length	0.003
RMSD bond angle	0.605
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.620	2.570
High resolution limit [Å]	2.440	2.440
Rmerge	0.186
Rmeas	0.196
Rpim	0.058
Number of reflections	28662	4108
<I/σ(I)>	8.8
Completeness [%]	99.9	99.9
Redundancy	11.6	12.2
CC(1/2)	0.996	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	18-20% PEG1000, 100 mM Imidazole, 200 mM CaAc2, pH 7.0