5FYX

Crystal structure of Drosophila NCS-1 bound to penothiazine FD16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	54.057, 62.997, 63.425
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.696 - 1.800
R-factor	0.2294
Rwork	0.228
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4by4
RMSD bond length	0.004
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.070
Number of reflections	20513
<I/σ(I)>	16.7	0.5
Completeness [%]	99.4	99.4
Redundancy	13	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				54% W/V MPD, 0.1M TRIS PH 7.3