1JRQ

X-ray Structure Analysis of the Role of the Conserved Tyrosine-369 in Active Site of E. coli Amine Oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-05-26
Detector	MARRESEARCH
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	134.540, 166.450, 79.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.195 *
Rwork	0.195
R-free	0.23500
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1oac
RMSD bond length	0.010
RMSD bond angle	3.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.700
High resolution limit [Å]	2.100	2.100
Rmerge	0.049 *	0.336 *
Number of reflections	90148 *
<I/σ(I)>	13	2.3
Completeness [%]	91.4	87
Redundancy	2.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7 *	18 *	SODIUM CITRATE, HEPES BUFFER, pH 7.40, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	1.26 (M)
2	1	reservoir	HEPES	100 (mM)