1D6Z

CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DETERMINING CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING 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	1998-05-11
Detector	MARRESEARCH
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 - 2.100
R-factor	0.193 *
Rwork	0.193
R-free	0.23700
RMSD bond length	0.006
RMSD bond angle	1.490
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.046	0.337
Total number of observations	287965 *
Number of reflections	92555 *
<I/σ(I)>	13.4
Completeness [%]	88.4	73.8
Redundancy	3.1	2

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)