8W14

Rhodanese-like domain from Acinetobacter baumannii 118362

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	2022-04-05
Detector	RAYONIX MX-300
Wavelength(s)	0.978720
Spacegroup name	P 43 21 2
Unit cell lengths	69.740, 69.740, 133.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.170 - 1.600
R-factor	0.1906
Rwork	0.190
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.054
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.170	1.659
High resolution limit [Å]	1.600	1.602
Number of reflections	43964	4279
<I/σ(I)>	18.15
Completeness [%]	99.8	98.82
Redundancy	8.6
CC(1/2)	0.999	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Ammonium sulfate, 0.1M Sodium acetate pH 4.8, 20% PEG3350