9X59

Crystal structure of RhoGDI2 in complex with Compound 2102

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	2016-06-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9786
Spacegroup name	P 43 21 2
Unit cell lengths	51.969, 51.969, 97.446
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.750 - 1.650
R-factor	0.1661
Rwork	0.164
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.827
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19rc3_4028: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.095	0.069	0.481
Rmeas	0.102	0.075	0.515
Rpim	0.038	0.028	0.182
Total number of observations	121027
Number of reflections	16953	951	840
<I/σ(I)>	7.8
Completeness [%]	99.5	96.5	100
Redundancy	7.1	6.6	7.5
CC(1/2)	0.998	0.995	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG 1500