3KP0

Crystal Structure of ORNITHINE 4,5 AMINOMUTASE in complex with 2,4-diaminobutyrate (DAB) (Aerobic)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.072
Spacegroup name	P 1 21 1
Unit cell lengths	66.090, 231.950, 124.320
Unit cell angles	90.00, 103.24, 90.00

Refinement procedure

Resolution	63.111 - 2.800
R-factor	0.1954
Rwork	0.191
R-free	0.26990
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.360
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.109	0.446
<I/σ(I)>	9.1	2.6
Completeness [%]	92.4	85.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	A protein solution (8 mg/ml 4,5-OAM, 5 mM 2-mercaptoethanol, 10 mM Tris HCl pH 8.0, 2 mM PLP, and 2 mM AdoCbl) was mixed in a 1:1 ratio with precipitant solution [(0.1 M Tris HCl, pH 8.0, 0.2 M MgCl2, 25 % (wt/vol) polyethylene glycol 2000 mono-methylether] under red light at room temperature, VAPOR DIFFUSION, SITTING DROP, temperature 294K