6KGR

LSD1-FCPA-MPE N5 adduct model

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-27
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	185.268, 185.268, 109.327
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.880 - 2.320
R-factor	0.1698
Rwork	0.168
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.040	2.400
High resolution limit [Å]	2.320	2.320
Rmeas	0.091	1.363
Rpim	0.021	0.315
Number of reflections	48179	4362
<I/σ(I)>	24.4	3
Completeness [%]	100.0	100
Redundancy	18.4	18.2
CC(1/2)	0.999	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES (pH 7.5), 5% MPD, 3.5-4.0% PEG MME 2000