6X1G

Crystal structure of a GEF domain from the Orientia tsutsugamushi protein OtDUB in complex with Rac1

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	PIXEL
Collection date	2019-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	50.063, 54.160, 94.004
Unit cell angles	83.37, 76.34, 62.52

Refinement procedure

Resolution	48.050 - 1.600
R-factor	0.1828
Rwork	0.181
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1foe
RMSD bond length	0.014
RMSD bond angle	1.808
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.038	0.025	0.731
Rmeas	0.053	0.035	1.033
Rpim	0.038	0.025	0.731
Total number of observations	151064
Number of reflections	92107	4935	4510
<I/σ(I)>	10.4
Completeness [%]	81.7	87.4	80.2
Redundancy	1.6	1.7	1.6
CC(1/2)		0.996	0.295

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	9.5	293	25 mM CHES pH 9.5, 25% (w/v) PEG 8000