9IT4

Structure of Clr4 catalyzing 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	2023-06-26
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979176
Spacegroup name	P 2 21 21
Unit cell lengths	39.130, 70.384, 110.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.880 - 2.390
R-factor	0.2254
Rwork	0.221
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bp4
RMSD bond length	0.005
RMSD bond angle	0.884
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	Inner shell	Outer shell
Low resolution limit [Å]	36.880	36.880	2.340
High resolution limit [Å]	2.290	6.240	2.290
Rmeas	0.169
Rpim	0.053
Number of reflections	14058	814	565
<I/σ(I)>	15.56
Completeness [%]	97.9
Redundancy	10
CC(1/2)	0.925	0.994	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Magnesium chloride hexahydrate, 0.1 M MES, pH 6.0, 8 % w/v PEG 6000