9X53

Crystal structure of RhoGDI2 in complex with Compound HR3119

This is a non-PDB format compatible entry.

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	2023-07-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 43 21 2
Unit cell lengths	55.492, 55.492, 94.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.240 - 1.850
R-factor	0.2032
Rwork	0.201
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19rc3_4028: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.240	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.111	0.609
Number of reflections	13173	803
<I/σ(I)>	10.9
Completeness [%]	99.7	100
Redundancy	8.3	8.4
CC(1/2)	0.992	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	30% PEG1000,0.1 M SPG