7DN6

Crystal structure of bovine lactoperoxidase with hydrogen peroxide trapped between heme iron and his109 at 1.69 A resolution

Replaces:  6L9EReplaces:  3Q9K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-21
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	53.913, 79.690, 76.965
Unit cell angles	90.00, 102.23, 90.00

Refinement procedure

Resolution	39.410 - 1.696
Rwork	0.197
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q9k
RMSD bond length	0.011
RMSD bond angle	1.750
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.410	1.740
High resolution limit [Å]	1.696	1.696
Number of reflections	70470	4474
<I/σ(I)>	12
Completeness [%]	99.3	93.9
Redundancy	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	0.2M Ammonium Iodide, PEG 3350