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5IDW

Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E SUPERBRIGHT
Temperature [K]100
Detector technologyCCD
Collection date2016-02-19
DetectorRIGAKU SATURN 944+
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths61.810, 49.230, 66.960
Unit cell angles90.00, 94.99, 90.00
Refinement procedure
Resolution50.000 - 2.000
R-factor0.1849
Rwork0.181
R-free0.23700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5idq
RMSD bond length0.007
RMSD bond angle0.825
Data reduction softwareXDS
Data scaling softwareXSCALE
Refinement softwarePHENIX (dev_2313)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.0002.050
High resolution limit [Å]2.0008.9402.000
Rmerge0.1100.0420.346
Number of reflections27131
<I/σ(I)>8.5924.82.63
Completeness [%]99.095.397.1
Redundancy3.232.13
CC(1/2)0.993
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP290MCSG1 D10 (269027d10): 0.2 M Calcium Acetate 0.1 M Sodium Cacodylate:HCl pH 6.5 40% (v/v ) PEG 300; protein conc. 20.9mg/mL; 5mM NADP soak; direct cryo; puck foe9-7

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