8P0S

Crystal structure HR1 domain of Rho-associated coiled-coil protein kinases (ROCK-HR1)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-13
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.979240
Spacegroup name	C 2 2 21
Unit cell lengths	48.260, 87.070, 148.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.050 - 2.200
R-factor	0.2224
Rwork	0.219
R-free	0.29350
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((1.19.2_4158:))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.550
Number of reflections	116242	30449
<I/σ(I)>	11.57
Completeness [%]	99.4
Redundancy	3.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	23% PEG 3350, 150 mM Tri-potassium citrate and 4% MPD (2-methyl-2,4-pentanediol)