1OAF

Ascobate peroxidase from soybean cytosol in complex with ascorbate

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	2002-09-01
Detector	ADSC CCD
Spacegroup name	P 42 21 2
Unit cell lengths	81.328, 81.328, 74.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.740 - 1.400
R-factor	0.16259
Rwork	0.161
R-free	0.21400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1apx
RMSD bond length	0.010 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.740 *	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.083	0.425
Total number of observations	339792 *
Number of reflections	49370
<I/σ(I)>	23.2	2.9
Completeness [%]	96.2	96.2
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.3		2.25M LI2SO4, 0.1M HEPES, PH8.3, pH 8.30

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	lithium sulfate	2.25 (M)
3	1	reservoir	HEPES	0.1 (M)	pH8.3