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1CL6

CRYSTAL STRUCTURES OF FERRIC-NO COMPLEXES OF FUNGAL NITRIC OXIDE REDUCTASE AND ITS SER286 MUTANTS AT CRYOGENIC TEMPERATURE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL44B2
Synchrotron siteSPring-8
BeamlineBL44B2
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1998-08-01
DetectorRIGAKU RAXIS IV
Spacegroup nameP 21 21 21
Unit cell lengths54.530, 81.710, 85.550
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 1.700
R-factor0.202

*

Rwork0.203
R-free0.25100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1rom
RMSD bond length0.006
RMSD bond angle1.200
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR (3.851)
Refinement softwareX-PLOR (3.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0001.760
High resolution limit [Å]1.7001.700
Rmerge0.0710.325
Total number of observations248070

*

Number of reflections41588
Completeness [%]97.489.7
Redundancy5.96
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

*

5.6

*

Park, S.Y., (1997) FEBS Lett. 412, 346.

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirMES100 (mM)
21dropprotein25 (mg/ml)
31dropMES50 (mM)
41reservoirPEG4000
51dropPEG4000

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