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7Y3U

Crystal structure of the complex of Lactoperoxidase with Nitric oxide at 2.50A resolution

Replaces:  6LRN
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsRRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron siteRRCAT INDUS-2
BeamlinePX-BL21
Temperature [K]100
Detector technologyCCD
Collection date2019-12-05
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.97947
Spacegroup nameP 1 21 1
Unit cell lengths81.731, 93.173, 82.319
Unit cell angles90.00, 91.20, 90.00
Refinement procedure
Resolution48.864 - 2.500
Rwork0.219
R-free0.27740
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6LRN
RMSD bond length0.006
RMSD bond angle1.506
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.9112.590
High resolution limit [Å]2.5002.500
Rmerge0.0780.806
Number of reflections428342923
<I/σ(I)>7.81.2
Completeness [%]99.098.7
Redundancy3.93.9
CC(1/2)0.9970.638
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.82980.2M cacl2, 20% PEG 3350

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