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3NKS

Structure of human protoporphyrinogen IX oxidase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
DetectorADSC QUANTUM 210
Wavelength(s)1.0
Spacegroup nameH 3 2
Unit cell lengths136.702, 136.702, 158.877
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution29.710 - 1.900
R-factor0.206
Rwork0.206
R-free0.23200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2ive
RMSD bond length0.010
RMSD bond angle1.400
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASES
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.970
High resolution limit [Å]1.9001.900
Rmerge0.0850.458
Number of reflections44210
<I/σ(I)>25.92.1
Completeness [%]98.688.8
Redundancy104.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP10298ammonium citrate dibasic, PEG3350, pH 10.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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