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8ING

Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution

Replaces:  7WCSReplaces:  4LJJ
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]81
Detector technologyCCD
Collection date2013-04-23
DetectorMARRESEARCH
Wavelength(s)0.97
Spacegroup nameP 1 21 1
Unit cell lengths54.052, 80.342, 76.121
Unit cell angles90.00, 102.82, 90.00
Refinement procedure
Resolution35.329 - 1.980
Rwork0.183
R-free0.23350
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.681
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.3292.010
High resolution limit [Å]1.9801.980
Number of reflections435162188
<I/σ(I)>32.4
Completeness [%]99.0
Redundancy4.3
CC(1/2)0.9600.920
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.8298Sodium nitrate, PEG

227561

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