9KPG

Crystal structure of human CASTOR2-arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	74.338, 48.391, 94.336
Unit cell angles	90.00, 106.06, 90.00

Refinement procedure

Resolution	45.330 - 1.850
R-factor	0.1869
Rwork	0.185
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gs9
RMSD bond length	0.007
RMSD bond angle	0.851
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.330	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.113	0.629
Number of reflections	55304	4569
<I/σ(I)>	7.4	2.2
Completeness [%]	97.6	84
Redundancy	4.9	4.8
CC(1/2)	0.990	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES, 0.1 M KCl, and 15% PEG5000 MME