8BOX

LSD1-CoREST in complex with AW4 and SNAG peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-06
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.96546
Spacegroup name	I 2 2 2
Unit cell lengths	118.978, 177.894, 234.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.340 - 2.820
R-factor	0.2198
Rwork	0.220
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v1d
RMSD bond length	0.012
RMSD bond angle	1.549
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.340	2.890
High resolution limit [Å]	2.820	2.820
Rmerge	0.086	1.883
Rmeas	0.098	2.148
Rpim	0.045	1.010
Total number of observations	255787	18492
Number of reflections	59799	4407
<I/σ(I)>	11.8	0.8
Completeness [%]	99.6
Redundancy	4.3	4.2
CC(1/2)	0.998	0.334

Crystallization Conditions

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