6ZVG

Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-indole-3-lactic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.918400
Spacegroup name	C 1 2 1
Unit cell lengths	177.267, 82.286, 98.208
Unit cell angles	90.00, 106.42, 90.00

Refinement procedure

Resolution	47.100 - 2.590
R-factor	0.1936
Rwork	0.191
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rkc
RMSD bond length	0.010
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.100	47.100	2.750
High resolution limit [Å]	2.590	7.690	2.590
Rmerge	0.131	0.042	1.429
Rmeas	0.142	0.045	1.546
Total number of observations	280530
Number of reflections	41474	1662	6368
<I/σ(I)>	10.37	39.08	1.16
Completeness [%]	98.3	97.6	94.6
Redundancy	6.764	6.559	6.674
CC(1/2)	0.998	0.998	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2 M MgNO3, 20% PEG 3350, HEPES pH 7.5,