3TV7

Human Rho-associated protein kinase 1 (ROCK 1) in COMPLEX WITH RKI1342

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2011-08-26
Detector	RIGAKU SATURN 944+
Spacegroup name	C 2 2 21
Unit cell lengths	151.010, 150.920, 185.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.828 - 2.750
Rwork	0.205
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CHAIN A OF 2ETR
RMSD bond length	0.011
RMSD bond angle	1.329
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.070	0.300
Number of reflections	55039
<I/σ(I)>	20	5.8
Completeness [%]	99.9	100
Redundancy	7.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	292	10 mg/ml ROCK1, 75 mm hepes pH 7.4, 2.5 % tacsimate ph 7.4, 5 % PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 292K