3MSX

Crystal structure of RhoA.GDP.MgF3 in complex with GAP domain of ArhGAP20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97166
Spacegroup name	C 2 2 21
Unit cell lengths	69.057, 88.977, 137.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.230 - 1.650
R-factor	0.196
Rwork	0.195
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.503
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.689
High resolution limit [Å]	1.650	6.460	1.650
Rmerge	0.061	0.055	0.120
Number of reflections	41890
<I/σ(I)>	12.3
Completeness [%]	99.9	99.6	100
Redundancy	7.2	6.6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Crystallization drop was 1:1 mixture of protein dissolved in 20 mM Tris, pH 8.5, 100 mM NaCl, 5 mM NaF, 5 mM MgCl2, 5mM 2-mercaptoethanol and 20 w/v% PEG 8000, 0.2 M NaCl, 0.17 M NH4Cl, 0.1 M phosphate citrate buffer. The crystallization reservoir was 20 w/v% PEG 8000, 0.2 M NaCl, 0.17 M NH4Cl, 0.1 M phosphate citrate buffer, vapor diffusion, sitting drop, temperature 293K