5GT7

Crystal Structure of Arg-bound CASTOR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0011
Spacegroup name	P 1 21 1
Unit cell lengths	92.833, 83.146, 97.289
Unit cell angles	90.00, 116.39, 90.00

Refinement procedure

Resolution	33.029 - 2.048
R-factor	0.1862
Rwork	0.185
R-free	0.21120
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.674
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.048	4.420	2.050
Rmerge	0.091	0.050	0.884
Number of reflections	82993
<I/σ(I)>	9.9
Completeness [%]	99.5	99.7	98.8
Redundancy	6.1	6.1	5.9
CC(1/2)		0.995	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	5 % (w/v) PEG3350, 0.1 M Na Malonate pH 5.0