5LUC

Crystal structure of the D183N variant of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.8 Angstrom; internal aldimine with PLP in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	127.599, 141.107, 256.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.692 - 1.800
R-factor	0.1646
Rwork	0.163
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f9s
RMSD bond length	0.022
RMSD bond angle	1.598
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]	57.230	57.230	1.830
High resolution limit [Å]	1.800	9.860	1.800
Rmerge	0.151	0.096	0.722
Number of reflections	397712
<I/σ(I)>	6.2
Completeness [%]	94.2	83.1	96.1
Redundancy	4.3	4.7	4.1
CC(1/2)	0.987	0.986	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	mixing equal volumes of protein solution: 15 mg/ml in 40 mM PhO pH 7.4 - 60 mM Hepes pH 7.0 reservoir: ammonium acetate o.1 M - BIS TRIS pH 5.5 0.1M - 17% PEG 10K