3O0Z

Crystal structure of a coiled-coil domain from human ROCK I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97914
Spacegroup name	P 43 21 2
Unit cell lengths	84.588, 84.588, 340.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.133 - 2.330
R-factor	0.2418
Rwork	0.239
R-free	0.28610
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.088
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.120	0.334
Number of reflections	69169
<I/σ(I)>	30.7	13.2
Completeness [%]	67.6	14.5
Redundancy	30.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	293	13% MPD, 100 mM NaCl, 100 mM sodium acetate, 10 mM DTT, 5% glycerol, 10 mM spermidine, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K