1I4L

CRYSTAL STRUCTURE ANALYSIS OF RAC1-GDP IN COMPLEX WITH ARFAPTIN (P41)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 41
Unit cell lengths	112.379, 112.379, 68.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
Rwork	0.258
R-free	0.30100
Structure solution method	MR / MAD
RMSD bond length	0.007
RMSD bond angle	1.490
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.780
High resolution limit [Å]	2.700	2.700
Rmerge	0.083	0.550
Number of reflections	23325
<I/σ(I)>	16.2
Completeness [%]	98.9	91.9
Redundancy	4.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	9	18 *	Tris, PEG20K, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	Tris	0.1 (M)
3	1	reservoir	PEG20000	10 (%)