7DN7

Crystal structure of ternary complexes of lactoperoxidase with hydrogen peroxide at 1.70 A resolution

Replaces:  6LAQReplaces:  3QL6

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	53.920, 79.498, 77.723
Unit cell angles	90.00, 102.25, 90.00

Refinement procedure

Resolution	26.707 - 1.700
Rwork	0.181
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ql6
RMSD bond length	0.012
RMSD bond angle	1.827
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]	75.900	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	67857	4718
<I/σ(I)>	11	5.2
Completeness [%]	96.0	96.2
Redundancy	9.2

Crystallization Conditions

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