5F9S

Crystal structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.7 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)	1.00
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	45.118 - 1.700
R-factor	0.1605
Rwork	0.158
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hoc
RMSD bond length	0.011
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1)

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	0.082	0.031	0.614
Rpim	0.042	0.015	0.324
Total number of observations	294083	2496	13739
Number of reflections	70070
<I/σ(I)>	10.6	30.5	1.6
Completeness [%]	87.0	82.8	83.4
Redundancy	4.2	4.8	3.9
CC(1/2)	0.997	0.997	0.755

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