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5X0O

Regulatory domain of AphB treated with Cumene hydroperoxide from Vibrio vulnificus

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 5C (4A)
Synchrotron sitePAL/PLS
Beamline5C (4A)
Temperature [K]100
Detector technologyCCD
Collection date2015-06-08
DetectorADSC QUANTUM 315r
Wavelength(s)0.97960
Spacegroup nameP 21 21 2
Unit cell lengths124.844, 189.418, 57.424
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.696 - 2.402
R-factor0.211
Rwork0.209
R-free0.25620
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5fhk
RMSD bond length0.003
RMSD bond angle0.556
Data reduction softwareDENZO
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwarePHENIX ((1.11.1_2575: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.440
High resolution limit [Å]2.4002.400
Rmerge0.1220.433
Number of reflections51444
<I/σ(I)>13.442.95
Completeness [%]99.799.4
Redundancy8.85.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52870.1M HEPES (pH 7.5), 15% PEG 8000, 10% ethylene glycol

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