1PBY

Structure of the Phenylhydrazine Adduct of the Quinohemoprotein Amine Dehydrogenase from Paracoccus denitrificans at 1.7 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	P 41 21 2
Unit cell lengths	99.237, 99.237, 213.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.700
Rwork	0.191
R-free	0.22400
Structure solution method	refined directly
Starting model (for MR)	1jju
RMSD bond length	0.006
RMSD bond angle	24.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.481
Number of reflections	110131
<I/σ(I)>	27.7	2.3
Completeness [%]	94.2	75.4
Redundancy	6.7 *	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.6	293	PEG 4000, sodium citrate, t-butyl alcohol, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	100 (mM)	pH5.6
2	1	reservoir	PEG4000	18 (%)
3	1	reservoir	t-butyl alcohol	21 (%)