6R3V

Crystal Structure of RhoA-GDP-Pi in Complex with RhoGAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91732
Spacegroup name	C 2 2 21
Unit cell lengths	114.060, 122.780, 67.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.480 - 1.750
R-factor	0.17849
Rwork	0.177
R-free	0.20681
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WWPDB ENTRY 1OXT
RMSD bond length	0.016
RMSD bond angle	1.761
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.480	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.040	1.300
Rpim		1.560
Number of reflections	47885	2635
<I/σ(I)>	19.1	1.4
Completeness [%]	100.0	99.9
Redundancy	6.7	6.7
CC(1/2)		0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Equal amounts of reservoir solution containing 18% PEG2000 MME, 100 mM MES, pH 6.0, 10 mM MgCl2, 3 mM DTT, 3 mM NaN3, 120 mM ammonium sulphate and stock solution of the RhoA/RhoGAP protein complex at 800 mM in 20 mM Tris.HCl, pH 7.4, with 2 mM AlCl3, 10 mM MgCl2, and 20 mM NaF.