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4MXL

X-ray structure of ZnPFeBMb1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]77
Detector technologyCCD
Collection date2013-05-30
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.0781
Spacegroup nameP 21 21 21
Unit cell lengths39.754, 48.233, 77.819
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.280 - 1.500
R-factor0.2095
Rwork0.207
R-free0.25474
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.021
RMSD bond angle2.669
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.530
High resolution limit [Å]1.5001.500
Number of reflections24494
<I/σ(I)>2
Completeness [%]98.9
Redundancy4.54.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.772770.1M sodium cacodylate, 0.2M NaOAC.3H2O, 30-32% PEG 10K, pH 6.77, VAPOR DIFFUSION, HANGING DROP, temperature 277K

222036

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