6HX7

Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom

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	2017-07-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.999995
Spacegroup name	P 31 1 2
Unit cell lengths	193.252, 193.252, 57.211
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.000 - 1.800
R-factor	0.2212
Rwork	0.221
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oat
RMSD bond length	0.021
RMSD bond angle	1.473
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.310	48.310	1.830
High resolution limit [Å]	1.800	9.860	1.800
Rmerge	0.136	0.058	0.398
Rmeas	0.145	0.062	0.444
Rpim	0.049	0.019	0.192
Number of reflections	110536	719	5303
<I/σ(I)>	7.6
Completeness [%]	98.7	98.9	96.2
Redundancy	8	10.6	5
CC(1/2)	0.997	0.999	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	Prot 115uM in 150mM NaCl 50mM Hepes pH 8.0 mixed with hit 1-5 of the LMB screen (Molecular Dimensions): 4 M Ammonium acetate 0.1 M Bis-Tris propane 7.0 (cryo + Glycerol 20%)