7WYJ

Structure of the complex of lactoperoxidase with nitric oxide catalytic product nitrite at 1.89 A resolution

Replaces:  7VINReplaces:  3OGW

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	2010-05-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	53.990, 79.930, 76.310
Unit cell angles	90.00, 102.18, 90.00

Refinement procedure

Resolution	35.301 - 1.890
Rwork	0.203
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7VIN
RMSD bond length	0.008
RMSD bond angle	1.605
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.301	1.940
High resolution limit [Å]	1.890	1.890
Number of reflections	50802	3679
<I/σ(I)>	13.5	5
Completeness [%]	99.9
Redundancy	4.3
CC(1/2)	0.940	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	Ammonium Iodide, PEG3350, pH6.8