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5KMQ

The structure of I379E variant of type II NADH dehydrogenase from Caldalkalibacillus thermarum

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]113
Detector technologyCCD
Collection date2015-10-18
DetectorADSC QUANTUM 315r
Wavelength(s)0.954
Spacegroup nameP 1 21 1
Unit cell lengths72.383, 114.366, 130.462
Unit cell angles90.00, 92.04, 90.00
Refinement procedure
Resolution44.859 - 2.700
R-factor0.2252
Rwork0.223
R-free0.26920
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4nwz
RMSD bond length0.006
RMSD bond angle1.052
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.6002.770
High resolution limit [Å]2.7002.700
Rmerge0.0620.623
Number of reflections56903
<I/σ(I)>11.61.6
Completeness [%]97.499.3
Redundancy33
CC(1/2)0.997
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52910.1 M Bicine/Tris buffer pH8.5 including 10% (v/v) PEG 4000, 25% (v/v) ethylene glycol and 55mM D, L-lysine

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