3T06

Crystal Structure of the DH/PH fragment of PDZRHOGEF with N-terminal regulatory elements in complex with Human RhoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	95
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	84.370, 118.630, 92.443
Unit cell angles	90.00, 113.61, 90.00

Refinement procedure

Resolution	29.824 - 2.840
R-factor	0.2102
Rwork	0.208
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xcg
RMSD bond length	0.010
RMSD bond angle	1.265
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX (dev_818)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.900
High resolution limit [Å]	2.840	7.690	2.840
Rmerge	0.097	0.059	0.396
Number of reflections	36903
<I/σ(I)>	8.8
Completeness [%]	93.7	99.7	59.1
Redundancy	3.7	3.8	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.15 M DL-malic acid, 20 % w/v PEG 3350, pH 7.0, vapor diffusion, sitting drop, temperature 298K