6WOP

Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-08-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	92.379, 188.453, 114.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 1.850
R-factor	0.1819
Rwork	0.181
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sff
RMSD bond length	0.018
RMSD bond angle	1.413
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]	20.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.112	0.384
Rpim	0.042	0.272
Number of reflections	84930	4194
<I/σ(I)>	20.5	2.05
Completeness [%]	100.0	100
Redundancy	8
CC(1/2)		0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% (w/v) PEG3350, 0.2M potassium sodium tartrate, 5 mM Glutamic acid