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3AYZ

Membrane-bound respiratory [NiFe] hydrogenase from Hydrogenovibrio marinus in an air-oxidized condition

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL44XU
Synchrotron siteSPring-8
BeamlineBL44XU
Temperature [K]90
Detector technologyCCD
Collection date2010-10-21
DetectorRAYONIX MX225HE
Wavelength(s)0.9000
Spacegroup nameP 1 21 1
Unit cell lengths75.646, 116.664, 113.612
Unit cell angles90.00, 91.34, 90.00
Refinement procedure
Resolution20.000 - 1.220
R-factor0.139
R-free0.17100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ayx
RMSD bond length0.018
RMSD bond angle0.034
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.240
High resolution limit [Å]1.2201.220
Rmerge0.0840.385
Number of reflections578159
<I/σ(I)>12.53.3
Completeness [%]99.699.4
Redundancy4.13.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52930.1M PIPES, 15% PEG 3350, 300mM lithium sulfate, 5mM DTT, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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