7UR2

Crystal structure of the Sec14 domain of the RhoGEF Kalirin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.195
Spacegroup name	P 1
Unit cell lengths	72.160, 82.420, 83.270
Unit cell angles	81.09, 71.79, 79.88

Refinement procedure

Resolution	61.010 - 1.890
R-factor	0.196
Rwork	0.195
R-free	0.21800
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHENIX (1.19.2-4128)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.640	1.920
High resolution limit [Å]	1.890	1.890
Rmerge	0.061	1.294
Rmeas	0.063	1.329
Rpim	0.015	0.303
Number of reflections	137673	6729
<I/σ(I)>	31.6	2.2
Completeness [%]	95.9	94
Redundancy	18.3	19
CC(1/2)	1.000	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	100 mM sodium cacodylate, pH 6.5, 0.2 M ammonium sulfate, 20-25% PEG3350, 0.2 M sodium chloride
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	100 mM sodium cacodylate, pH 6.5, 0.2 M ammonium sulfate, 20-25% PEG3350, 0.2 M sodium chloride
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	100 mM sodium cacodylate, pH 6.5, 0.2 M ammonium sulfate, 20-25% PEG3350, 0.2 M sodium chloride
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	100 mM sodium cacodylate, pH 6.5, 0.2 M ammonium sulfate, 20-25% PEG3350, 0.2 M sodium chloride