1B37

A 30 ANGSTROM U-SHAPED CATALYTIC TUNNEL IN THE CRYSTAL STRUCTURE OF POLYAMINE OXIDASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	184.800, 184.800, 282.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.900
R-free	0.23400 *
Structure solution method	MIR
RMSD bond length	0.013
RMSD bond angle	2.250
Phasing software	CCP4
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.900
Rmerge	0.082	0.335 *
Total number of observations	785004 *
Number of reflections	216570
Completeness [%]	98.1	88.4 *
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *	293 *	pH 4.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	5 (mg/ml)
2	1	drop		300 (mM)
3	1	drop	sodium phosphate	50 (mM)
4	1	reservoir	ammonium sulfate	42-48 (%sat)
5	1	reservoir		0.02 (%)
6	1	reservoir	sodium acetate	100 (mM)