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5OCB

Crystal structure of nitric oxide bound D97N mutant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyPIXEL
Collection date2016-01-24
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97949
Spacegroup nameI 21 3
Unit cell lengths180.460, 180.460, 180.460
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.610 - 1.780
R-factor0.14416
Rwork0.144
R-free0.16150
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5ocf
RMSD bond length0.013
RMSD bond angle1.548
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]90.2301.880
High resolution limit [Å]1.7801.780
Rmerge0.0900.657
Rpim0.0560.424
Number of reflections9114513378
<I/σ(I)>81.7
Completeness [%]98.499.4
Redundancy3.23.2
CC(1/2)0.9970.504
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.527720% PEG3350, 0.2M SODIUM CITRATE, 20 mM BIS-TRIS-PROPANE-HCL PH7.5

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