6KGO

LSD1-S2157 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	2015-06-05
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	185.703, 185.703, 108.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.600 - 2.250
R-factor	0.1749
Rwork	0.173
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.873
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]	48.060	2.320
High resolution limit [Å]	2.250	2.250
Rmeas	0.110	2.560
Rpim	0.028	0.653
Number of reflections	52531	4503
<I/σ(I)>	22.5	1.8
Completeness [%]	100.0	100
Redundancy	14.8	14.9
CC(1/2)	0.999	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10% PEG3350