12LP

LSD1-CoREST in complex with GSK-LSD1 and peptide PRCALVKSK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96546
Spacegroup name	I 2 2 2
Unit cell lengths	119.294, 181.646, 233.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.160 - 2.780
R-factor	0.216
Rwork	0.215
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.560
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.160	2.880
High resolution limit [Å]	2.670	2.780
Rmerge	0.060	0.849
Rmeas	0.069	0.988
Rpim	0.033	0.491
Total number of observations		24034
Number of reflections	68980	6175
<I/σ(I)>	12.1	1.4
Completeness [%]	98.3
Redundancy	3.9	3.9
CC(1/2)	0.998	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.2 Na/K Tartrate, 100 mM ADA pH 6.5