1FHF

THE STRUCTURE OF SOYBEAN PEROXIDASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2000-11-24
Detector	MARRESEARCH
Spacegroup name	P 31
Unit cell lengths	106.454, 106.454, 104.996
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	11.000 - 2.800
R-factor	0.271
Rwork	0.271
R-free	0.28900
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.096	0.289
Total number of observations	175095 *
Number of reflections	26929
<I/σ(I)>	7
Completeness [%]	88.2	69.3
Redundancy	6.5	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1M tris hcl, 0.6M ammoniumdihydrogenphosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 4K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	10 (mM)
2	1	drop	protein	1.9 (mg/ml)
3	1	reservoir		0.2-0.6 (M)
4	1	reservoir	Tris-HCl	0.1 (M)