1S1C

Crystal structure of the complex between the human RhoA and Rho-binding domain of human ROCKI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	34.404, 89.537, 98.105
Unit cell angles	90.00, 91.86, 90.00

Refinement procedure

Resolution	19.770 - 2.600
R-factor	0.219
Rwork	0.219
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	21.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.064 *	0.112 *
Total number of observations	43736 *
Number of reflections	17511
Completeness [%]	95.9	82.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	20 *	TRIS, PEG 3350, isopropyl alcohol, pH 7.5, EVAPORATION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	100 (mM)	pH7.5
2	1	reservoir	PEG3350	12 (%)
3	1	reservoir	isopropyl alcohol	2 (%)
4	1	drop	protein	10 (mg/ml)
5	1	drop	Tris-HCl	30 (mM)	pH7.5
6	1	drop		4 (mM)
7	1	drop	DTE	2 (mM)