5OFY

Crystal structure of the D183N variant of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at pH 9.0. 2.8 Ang; 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	2016-10-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	89.049, 89.049, 140.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 2.800
R-factor	0.265
Rwork	0.262
R-free	0.32400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5luc
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]	46.950	46.950	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.087	0.040	1.032
Rmeas	0.091	0.042	1.078
Rpim	0.026	0.012	0.308
Number of reflections	14614
<I/σ(I)>	20.4		2.5
Completeness [%]	100.0	99.4	99.8
Redundancy	12.5	11.3	12.1
CC(1/2)	0.997	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	294	protein - 15 mg/ml (165 microM) in 40 mM PhO pH 7.4, 60 mM Hepes pH 7.0, 1.6 molar excess PLP Reservoir - Hampton Research Crystal Screen solution H12 - 2% dioxane, 0.1M bicine pH 9.0, 10% PEG 20K Mixing - 0.4 + 0.4 microL