6KGM

LSD1-CoREST-S2116 five-membered ring adduct model

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	2016-06-10
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	120.451, 178.696, 235.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.130 - 2.620
R-factor	0.1759
Rwork	0.175
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.670
High resolution limit [Å]	2.620	2.620
Rmeas	0.091	1.563
Rpim	0.033	0.562
Number of reflections	76266	4451
<I/σ(I)>	15.7	1.6
Completeness [%]	99.9	99.9
Redundancy	7.6	7.6
CC(1/2)	0.998	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.28 M potassium sodium tartrate