2OJV

Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	292
Detector technology	IMAGE PLATE
Collection date	2006-10-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54132
Spacegroup name	P 1 21 1
Unit cell lengths	54.197, 80.811, 77.047
Unit cell angles	90.00, 102.96, 90.00

Refinement procedure

Resolution	74.540 - 2.400
R-factor	0.182
Rwork	0.178
R-free	0.22786
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2GJ1
RMSD bond length	0.014
RMSD bond angle	1.980
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.540	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	23672
Completeness [%]	97.9	90.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	100mM Tris-Hcl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K