6NST

Crystal structure of branched chain amino acid aminotransferase from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-28
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97929
Spacegroup name	P 1 21 1
Unit cell lengths	85.837, 129.636, 85.787
Unit cell angles	90.00, 114.25, 90.00

Refinement procedure

Resolution	49.919 - 2.136
R-factor	0.1974
Rwork	0.195
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u0g
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.121	0.094	0.419
Rmeas	0.135	0.105	0.532
Rpim	0.059	0.045	0.323
Total number of observations	342339
Number of reflections	83927	4670	3010
<I/σ(I)>	8.8
Completeness [%]	91.4	99.3	65.6
Redundancy	4.1	5.3	2.1
CC(1/2)		0.985	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	297	PEG3350 25%, ammonium acetate 0.2M, Bis-Tris 0.1 M