6AWA

1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.

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	2017-07-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	88.936, 113.089, 120.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 1.830
R-factor	0.17735
Rwork	0.176
R-free	0.20069
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tr3
RMSD bond length	0.009
RMSD bond angle	1.429
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.050	0.814
Rpim	0.022	0.353
Number of reflections	107766	5340
<I/σ(I)>	34.2	2.3
Completeness [%]	99.9	100
Redundancy	6.2	6.2
CC(1/2)		0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	Protein: 16.3 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3), 1mM FAD;Screen: JCSG+ (G11), 2M Ammonium sulfate, 0.01M Bis-Tris HCl (pH 5.5);Cryo: 2M Ammonim sulfate, 25% sucrose.