6WJ8

Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Klebsiella pneumoniae in complex with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-08-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	193.539, 63.351, 128.135
Unit cell angles	90.00, 95.70, 90.00

Refinement procedure

Resolution	24.930 - 2.590
R-factor	0.1975
Rwork	0.196
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sf2
RMSD bond length	0.004
RMSD bond angle	0.685
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.640
High resolution limit [Å]	2.590	2.600
Rmerge	0.089	0.750
Rpim	0.055	0.539
Number of reflections	48178	2353
<I/σ(I)>	9.64	0.7
Completeness [%]	99.4	97.2
Redundancy	3.5
CC(1/2)		0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2 M sodium chloride, 0.1 M Bis-Tris pH 5.5, 25% PEG3350, 5 mM PLP, GABA. Cryoprotectant 7% gycerol 7% Ethylene glycol 7% Sucrose followed by Paratone followed by annealing in 25% Ethylene Glycol