5YJB

LSD1-CoREST in complex with 4-[5-(piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-21
Detector	RAYONIX MX225-HS
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	121.144, 179.624, 234.953
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.820 - 2.960
R-factor	0.189
Rwork	0.189
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h6q
RMSD bond length	0.008
RMSD bond angle	0.945
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.160	3.050
High resolution limit [Å]	2.960	2.960
Rmerge	0.114	1.420
Rmeas	0.123	1.520
Rpim	0.044	0.548
Number of reflections	53652	4572
<I/σ(I)>	16.2	1.7
Completeness [%]	100.0	100
Redundancy	7.5	7.6
CC(1/2)	0.999	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M N-(2-ACETAMIDO)IMINODIACETIC ACID (PH 5.5), 1.23M POTASSIUM SODIUM TARTRATE TETRAHYDRATE