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6O7R

Nitrogenase MoFeP mutant F99Y, S188A from Azotobacter vinelandii in the dithionite reduced state

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyPIXEL
Collection date2018-06-29
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.7388
Spacegroup nameP 1 21 1
Unit cell lengths76.610, 128.810, 107.640
Unit cell angles90.00, 109.07, 90.00
Refinement procedure
Resolution47.311 - 2.270
R-factor0.1681
Rwork0.164
R-free0.20770
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2min
RMSD bond length0.007
RMSD bond angle0.791
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]79.8402.310
High resolution limit [Å]2.2702.270
Rmerge0.1140.383
Rmeas0.1400.471
Rpim0.0790.269
Number of reflections824834590
<I/σ(I)>9.73.8
Completeness [%]90.795.3
Redundancy5.85.6
CC(1/2)0.9840.901
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP829320% PEG 8000, 100 mM Tris pH 8.0, 500 mM NaCl, 10 mM dithionite

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