2ETK

Crystal Structure of ROCK 1 bound to hydroxyfasudil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	120
Detector technology	CCD
Collection date	2003-04-28
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 31 2 1
Unit cell lengths	181.781, 181.781, 91.748
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.910 - 2.960
R-factor	0.278
Rwork	0.277
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1atp
RMSD bond length	0.008
RMSD bond angle	1.300
Data scaling software	d*TREK (8.0SSI)
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.910	3.070
High resolution limit [Å]	2.960	2.960
Rmerge	0.062	0.343
Number of reflections	34172
<I/σ(I)>	17.2	4.5
Completeness [%]	93.3	93.3
Redundancy	7.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	4.5% PEG3350, 100mM Mes, pH 5.5, 50mM CaCl2, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K