7TZP

Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (FabG) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 in Complex with NADH

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	2020-11-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	F 2 2 2
Unit cell lengths	161.387, 256.020, 260.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.990 - 2.600
R-factor	0.1911
Rwork	0.189
R-free	0.22660
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	1.175
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.157	1.229
Rmeas	0.169	1.318
Rpim	0.061	0.475
Number of reflections	82427	4121
<I/σ(I)>	13.8	2
Completeness [%]	100.0	100
Redundancy	7.6	7.7
CC(1/2)	0.993	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	Protein: 13.0 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: ComPAS (A2), 0.5M Potassium chloride, 12% (w/v) PEGr800, 10% (w/v) Glycerol