5F5P

Molecular Basis for Shroom2 Recognition by Rock1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-02
Detector	PSI PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	97.587, 133.795, 135.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.910 - 3.568
R-factor	0.2732
Rwork	0.271
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3thf
RMSD bond length	0.002
RMSD bond angle	0.538
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2219))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.630
High resolution limit [Å]	3.570	3.570
Rmerge	0.080
Number of reflections	21121
<I/σ(I)>	24.5	1.72
Completeness [%]	97.8	97.9
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% PEG 3350, 200 mM Magnesium Chloride, 100 mM Tris pH 8.5