6T3V

Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - malic 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	CCD
Collection date	2013-10-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 65 2 2
Unit cell lengths	90.209, 90.209, 241.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 - 1.620
R-factor	0.1256
Rwork	0.124
R-free	0.16370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rkc
RMSD bond length	0.016
RMSD bond angle	1.631
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.620	3.490	1.620
Rmerge	0.056	0.041	0.390
Total number of observations	993205
Number of reflections	72901	7966	5755
<I/σ(I)>	16.1
Completeness [%]	97.0	98.4	78.1
Redundancy	13.6	12.8	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	2.1 M DL-malic acid pH 7.0