6ZUR

Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-p-hydroxyphenyllactic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-27
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	71.730, 63.858, 82.847
Unit cell angles	90.00, 102.67, 90.00

Refinement procedure

Resolution	43.650 - 2.310
R-factor	0.1995
Rwork	0.198
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rkc
RMSD bond length	0.017
RMSD bond angle	1.637
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.650	43.650	2.450
High resolution limit [Å]	2.310	6.860	2.310
Rmerge	0.091	0.032	0.508
Rmeas	0.110	0.038	0.607
Total number of observations	100722
Number of reflections	31189	1232	4701
<I/σ(I)>	9.71	33.73	1.87
Completeness [%]	96.4	95.5	91
Redundancy	3.229	3.093	3.246
CC(1/2)	0.996	0.997	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2 M MgNO3, 20% PEG 2000, HEPES pH 7.5.