12LU

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

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	2024-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.87313
Spacegroup name	I 2 2 2
Unit cell lengths	118.276, 181.007, 233.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.120 - 3.200
R-factor	0.2284
Rwork	0.227
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.490
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]	49.120	3.330
High resolution limit [Å]	3.200	3.200
Rmerge	0.147	5.712
Rmeas		5.944
Rpim	0.172	1.629
Total number of observations		59614
Number of reflections	41669	4595
<I/σ(I)>	4.7	0.6
Completeness [%]	99.8
Redundancy	13.1	13
CC(1/2)	0.981	0.307

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