1LVN

CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE COMPLEXED WITH TRANYLCYPROMINE

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	IMAGE PLATE
Collection date	1996-10-20
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.87
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	20.000 - 2.400
R-factor	0.185
Rwork	0.185
R-free	0.22600 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1spu
RMSD bond length	0.008
RMSD bond angle	1.600
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.075	0.251
Total number of observations	163856 *
Number of reflections	64108
<I/σ(I)>	7.5	2.9
Completeness [%]	90.1	80.6
Redundancy	2.56	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *	291	Parsons, M.R., (1995) Structure, 3, 1171. *

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)