7X73

Structure of G9a in complex with RK-701

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	43.215, 56.243, 66.475
Unit cell angles	76.05, 72.47, 67.53

Refinement procedure

Resolution	42.900 - 1.490
R-factor	0.1683
Rwork	0.167
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rjw
RMSD bond length	0.006
RMSD bond angle	0.872
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.900	1.520
High resolution limit [Å]	1.490	1.490
Rmeas	0.057	0.986
Rpim	0.030	0.516
Number of reflections	86112	4130
<I/σ(I)>	15.1	1.6
Completeness [%]	96.6
Redundancy	3.6
CC(1/2)	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.1M Bis-Tris propane (pH 7.4), 0.2M sodium formate, 10% ethylene glycol, 25% PEG3350