7DNP

Structure of Brucella abortus SagA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100.15
Detector technology	PIXEL
Collection date	2020-03-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	P 21 3
Unit cell lengths	79.040, 79.040, 79.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.630 - 2.000
R-factor	0.188
Rwork	0.186
R-free	0.22430
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.612
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.049	0.239
Rmeas	0.056	0.219
Rpim	0.009	0.043
Number of reflections	11424	570
<I/σ(I)>	67.5	15.6
Completeness [%]	100.0
Redundancy	30.7
CC(1/2)	0.999	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	0.2 M ammonium acetate, 0.1 M sodium acetate trihydrate (pH 4.1), 21% (w/v) polyethylene glycol 4,000, 2 mM Tris(2-chloroethyl) phosphate (TCEP)