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6T8Z

NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A ternary complex with the oxidised form of the cofactor NAD+ and the substrate formate both at a primary and secondary sites.

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2018-02-26
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.9763
Spacegroup nameP 1
Unit cell lengths50.395, 94.515, 94.330
Unit cell angles85.69, 89.93, 81.94
Refinement procedure
Resolution47.030 - 1.210
Rwork0.188
R-free0.21070
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5dna
RMSD bond length0.012
RMSD bond angle1.663
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMoRDa
Refinement softwareREFMAC (5.8.0257)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.0301.230
High resolution limit [Å]1.2101.210
Number of reflections46750722684
<I/σ(I)>5.8
Completeness [%]89.187.1
Redundancy1.81.8
CC(1/2)0.9980.250
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH5.52910.1M Bis-Tris, pH 5.5, 25 % w/v PEG 3350, 2.5 mM NAD+

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