5GS9

Crystal structure of CASTOR1-arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-07-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	93.644, 83.564, 97.810
Unit cell angles	90.00, 116.61, 90.00

Refinement procedure

Resolution	50.010 - 2.500
R-factor	0.1778
Rwork	0.175
R-free	0.22380
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.255
Data scaling software	HKL-3000
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.085	0.043	0.495
Number of reflections	47062
<I/σ(I)>	4
Completeness [%]	99.9	100	99.7
Redundancy	6.7	6.6	6.2
CC(1/2)		0.999	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	289	0.1M sodium citrate (pH 5.0), 20% (w/v) PEG 8000