5G08

Crystal structure of Drosophila NCS-1 bound to chlorpromazine

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
Collection date	2015-03-14
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	54.217, 54.917, 60.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.575 - 1.520
R-factor	0.1939
Rwork	0.193
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4by4
RMSD bond length	0.011
RMSD bond angle	1.088
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]	40.570	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.050
Number of reflections	28243
<I/σ(I)>	20.5	0.8
Completeness [%]	100.0	100
Redundancy	12.4	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20% W/V PEG MME 2K, 0.1M HEPES PH 7.0