1M7B

Crystal structure of Rnd3/RhoE: functional implications

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2001-02-28
Detector	MARRESEARCH
Wavelength(s)	1.54178
Spacegroup name	I 2 2 2
Unit cell lengths	63.592, 69.932, 97.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.530 - 2.000
R-factor	0.205
Rwork	0.201
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	poly Ala model of PDB ENTRY 1A2B
RMSD bond length	0.006
RMSD bond angle	22.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.530	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.092 *	0.325 *
Total number of observations	48439 *
Number of reflections	14843
<I/σ(I)>	8.4	1.5
Completeness [%]	98.6	98.2
Redundancy	3.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	PEG 4000, sodium acetate, Tris, magnesium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	PEG 4000, sodium acetate, Tris, magnesium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)	pH7.5
2	1	drop	Rnd3 G-domain	1 (mM)
3	1	drop		2 (mM)
4	1	drop	DTE	2 (mM)
5	1	reservoir	sodium acetate	100 (mM)	pH4.6
6	1	reservoir	PEG4000	8 (%)