6BZ0

1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Acinetobacter baumannii in Complex with FAD.

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	2017-10-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	57.965, 82.769, 96.262
Unit cell angles	80.38, 80.21, 89.49

Refinement procedure

Resolution	29.630 - 1.830
R-factor	0.18125
Rwork	0.179
R-free	0.22202
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u8u
RMSD bond length	0.008
RMSD bond angle	1.395
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.080	0.803
Rmeas	0.093	0.928
Rpim	0.047	0.466
Number of reflections	150403	7400
<I/σ(I)>	15.2	2.1
Completeness [%]	97.6	96.2
Redundancy	3.9	4
CC(1/2)		0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Protein: 22.6 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (G10), 0.2M Magnesium chloride, 0.1M Bis-Tris (pH 5.5), 25% (w/v) PEG 3350.