8F30

LSD1-CoREST in complex with AW2, long soaking

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	2022-05-11
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.967700
Spacegroup name	I 2 2 2
Unit cell lengths	119.207, 179.758, 234.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.570 - 3.100
R-factor	0.2029
Rwork	0.202
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v1d
RMSD bond length	0.011
RMSD bond angle	1.338
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]	47.570	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.231	3.495
Rmeas	0.240	3.622
Rpim	0.064	0.945
Total number of observations	640118	65117
Number of reflections	45927	4493
<I/σ(I)>	10.4	1.1
Completeness [%]	99.7
Redundancy	13.9	14.5
CC(1/2)	0.998	0.439

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