8INL

LSD1 in complex with S2172

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	187.101, 187.101, 106.945
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.210 - 2.620
R-factor	0.1816
Rwork	0.180
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.801
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.210	2.740
High resolution limit [Å]	2.620	2.620
Rmeas	0.138	3.769
Rpim	0.021	0.574
Number of reflections	33642	4040
<I/σ(I)>	22.3	1.8
Completeness [%]	100.0	100
Redundancy	40.9	42.8
CC(1/2)	1.000	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES (pH 6.5), 0.2M diammonium tartrate, 0.0005M TCEP, 14% PEG 3350