6X1H

Crystal structure of a guanine nucleotide exchange factor (GEF) domain from the Orientia tsutsugamushi protein OtDUB

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 EIGER2 X 16M
Wavelength(s)	0.98
Spacegroup name	P 63
Unit cell lengths	110.533, 110.533, 251.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.860 - 2.910
R-factor	0.1683
Rwork	0.166
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x1g
RMSD bond length	0.011
RMSD bond angle	1.657
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.116	0.057	1.948
Rmeas	0.123	0.061	2.107
Rpim	0.042	0.021	0.793
Total number of observations	316801
Number of reflections	37764	1922	1863
<I/σ(I)>	4.6
Completeness [%]	100.0	99.8	100
Redundancy	8.4	8.7	6.8
CC(1/2)		0.997	0.288

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	293	2.4 M sodium malonate pH 7.0