9LUS

Structure of human G9a SET-domain in complex with FLAV27 inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2024-07-02
Detector	RDI CMOS_8M
Wavelength(s)	1.00002
Spacegroup name	P 1
Unit cell lengths	44.154, 55.829, 67.171
Unit cell angles	89.35, 73.18, 67.04

Refinement procedure

Resolution	42.330 - 2.700
R-factor	0.26868
Rwork	0.267
R-free	0.30870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t7l
RMSD bond length	0.003
RMSD bond angle	1.160
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.330	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.074
Rmeas	0.088
Number of reflections	14539	1849
<I/σ(I)>	7.4
Completeness [%]	94.4	90.4
Redundancy	3.5	3.4
CC(1/2)	0.996	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	peg3350 20%, 10% Tacsimate (ph-8), Tris (ph-8.2), Glycerol 6%, 5 mM KSCN