1D6U

CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1998-08-04
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	135.236, 166.482, 79.628
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.181 *
Rwork	0.181
R-free	0.23900
RMSD bond length	0.006
RMSD bond angle	1.490
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.094	0.336
Total number of observations	304948 *
Number of reflections	69377 *
<I/σ(I)>	6
Completeness [%]	98.3	94.7
Redundancy	4.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *	291	SODIUM CITRATE, HEPES BUFFER, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.3 (M)
2	1	reservoir	HEPES	100 (mM)