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8WZU

4-hydroxybutyryl-CoA Synthetase (ADP-forming) from Nitrosopumilus maritimus.

Replaces:  8IUP
Experimental procedure
Experimental methodLAUE
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL12-2
Synchrotron siteSSRL
BeamlineBL12-2
Temperature [K]100
Detector technologyPIXEL
Collection date2017-11-10
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.73 - 1.85
Spacegroup nameP 21 21 2
Unit cell lengths356.980, 70.400, 75.810
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution24.880 - 2.800
R-factor0.23921
Rwork0.236
R-free0.28010
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.304
Data reduction softwareXDS
Data scaling softwareAimless (0.5.31)
Phasing softwarePHENIX
Refinement softwareREFMAC (v5.5)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]24.8802.750
High resolution limit [Å]2.6902.690
Number of reflections537887963
<I/σ(I)>7.490.59
Completeness [%]98.092.2
Redundancy13.1611.77
CC(1/2)0.9900.270
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5298.15pH 4.5, 100mM Na-acetate/acetic acid, 200mM lithium sulfate, 50% (v/v) PEG 400, 0.5uL of 100% PEG 400

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