1V0H

ASCOBATE PEROXIDASE FROM SOYBEAN CYTOSOL IN COMPLEX WITH SALICYLHYDROXAMIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-09-01
Detector	ADSC CCD
Spacegroup name	P 42 21 2
Unit cell lengths	82.770, 82.770, 74.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.900 - 1.460
R-factor	0.151
Rwork	0.150
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oaf
RMSD bond length	0.011
RMSD bond angle	1.306
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.510
High resolution limit [Å]	1.460	1.460
Rmerge	0.076
Number of reflections	49370
<I/σ(I)>	32.3	3.4
Completeness [%]	99.2	96.2
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.3		2.25M LI2SO4, 0.1M HEPES, PH8.3, pH 8.30