7SYB

Crystal Structure of sulfurtransferase (DsrC family protein) from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-02-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	32.500, 46.840, 39.480
Unit cell angles	90.00, 108.02, 90.00

Refinement procedure

Resolution	29.290 - 1.450
R-factor	0.1416
Rwork	0.139
R-free	0.16840
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (4220)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.290	29.290	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.047	0.024	0.549
Rmeas	0.054	0.029	0.632
Total number of observations	81639
Number of reflections	20040	232	1464
<I/σ(I)>	16.25	36.26	2.82
Completeness [%]	99.6	96.7	99.4
Redundancy	4.074	3.802	4.071
CC(1/2)	0.999	0.999	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	290	AcbaC.18888.a.B1.PW38910 at 13 mg/mL was mixed 1:1 (0.4 uL protein and 0.4 uL precipitant) with 0.02M Calcium chloride dihydrate, 0.1M Sodium actetate pH 4.6, 30% v/v MPD (JCSG+ A4). Cryo: Direct. Puck: OKJ-1-3