8BOP

LSD1-CoREST in complex with AW4, 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	2021-02-06
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.965459
Spacegroup name	I 2 2 2
Unit cell lengths	119.817, 177.601, 234.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.220 - 2.740
R-factor	0.2418
Rwork	0.241
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v1d
RMSD bond length	0.011
RMSD bond angle	1.404
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]	48.370	2.790
High resolution limit [Å]	2.730	2.730
Rmerge	0.309	6.615
Rmeas	0.346	7.450
Rpim	0.152	3.332
Total number of observations	306220	17616
Number of reflections	66116	4113
<I/σ(I)>	5.7	0.6
Completeness [%]	99.0
Redundancy	4.6	4.3
CC(1/2)	0.988	0.171

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