5OG0

Crystal structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 2.5 Angstrom; internal aldimine with PLP in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	90.673, 90.673, 141.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 2.500
R-factor	0.257
Rwork	0.255
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f9s
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.460	47.460	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.116	0.051	0.992
Rmeas	0.119	0.053	1.020
Rpim	0.028	0.013	0.236
Number of reflections	21107
<I/σ(I)>	19
Completeness [%]	100.0	99.3	100
Redundancy	17.5	16.1	18.4
CC(1/2)	0.999	0.998	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	Protein solution; 0.2 M AGT, 18mM potassium phosphate pH7.4, 20mM Hepes pH 7.4, 5% Jeffamine (Hampton), 5mM sodium hydroxylamine. Reservoir; PEG 6k 12%, 100 mM MES pH 5.0. Mixing: 1+1 microL Cryoprotectant; 25% MPD