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6O5D

PYOCHELIN

Replaces:  3U03
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.1
Synchrotron siteALS
Beamline5.0.1
Temperature [K]100
Detector technologyCCD
Collection date2010-04-10
DetectorADSC QUANTUM 210
Wavelength(s)1.00
Spacegroup nameP 41 21 2
Unit cell lengths114.803, 114.803, 119.238
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.620 - 2.400
R-factor0.2347
Rwork0.233
R-free0.25430
RMSD bond length0.007
RMSD bond angle1.376
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.460
High resolution limit [Å]2.4002.400
Number of reflections30489
<I/σ(I)>29.8
Completeness [%]95.8
Redundancy8.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.5289HosaA.18070.a at 10 mg/ml. 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5. Cryoprotection 15% glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 289K

222036

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