2C11

Crystal structure of the 2-hydrazinopyridine of semicarbazide- sensitive amine oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-14
Detector	ADSC CCD
Spacegroup name	P 43
Unit cell lengths	127.402, 127.402, 219.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.215
Rwork	0.215
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.300	3.100
High resolution limit [Å]	2.900	2.900
Rmerge	0.160	0.460
Number of reflections	72802
<I/σ(I)>	12.4	2
Completeness [%]	94.6	90.6
Redundancy	4.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	THE PROTEIN WAS CRYSTALLISED IN 0.1 M KBR, 0.1 M ACETATE PH5, 38 % PEG1000 AT 288 K. THE CRYSTALS WERE SOAKED FOR FIVE DAYS IN 40 % PEG1000, 0.1 M ACETATE PH 5, 80 MM KBR, 5 MM CUCL2, 8 MM 2-HYDRAZINOPYRIDINE.