4ATP

Structure of GABA-transaminase A1R958 from Arthrobacter aurescens in complex with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	120
Detector technology	CCD
Collection date	2012-02-12
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	175.700, 290.990, 104.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.840 - 2.800
R-factor	0.19512
Rwork	0.193
R-free	0.22892
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oks
RMSD bond length	0.011
RMSD bond angle	1.526
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.840	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.180	0.720
Number of reflections	125730
<I/σ(I)>	10.5	2.6
Completeness [%]	100.0	100
Redundancy	7.4	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		28% (W/V) PEG 3350, 0.2 M AMMONIUM ACETATE, 3% DIOXANE, 1 MM PLP, 100 MM BIS-TRIS PROPANE PH 7.5, PROTEIN AT 10 MG PER ML.