5HHY

Structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) showing X-Ray induced reduction of PLP internal aldimine to 4'-deoxy-piridoxine-phosphate (PLR)

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)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.479, 101.880, 131.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.223 - 1.700
R-factor	0.1657
Rwork	0.164
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h0c
RMSD bond length	0.012
RMSD bond angle	1.156
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.040	48.040	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.093	0.033	0.659
Rpim	0.050	0.018	0.374
Total number of observations	298106	2492	13703
Number of reflections	77240
<I/σ(I)>	9	25.3	1.3
Completeness [%]	95.6	94.7	90.3
Redundancy	3.9	4.2	3.6
CC(1/2)	0.995	0.997	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	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