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3QF1

Crystal structure of the complex of caprine lactoperoxidase with diethylenediamine at 2.6A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]77
Detector technologyCCD
Collection date2010-10-21
DetectorMARRESEARCH
Wavelength(s)0.97
Spacegroup nameP 1 21 1
Unit cell lengths54.150, 80.180, 76.730
Unit cell angles90.00, 102.37, 90.00
Refinement procedure
Resolution44.150 - 2.600
R-factor0.235
Rwork0.235
R-free0.25600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2r5l
RMSD bond length0.016
RMSD bond angle2.000
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.1502.760
High resolution limit [Å]2.6002.600
Number of reflections19796
<I/σ(I)>8.84.3
Completeness [%]86.789.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.8298Sodium nitrate, PEG, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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