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5HBP

The crystal of rhodanese domain of YgaP treated with SNOC

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL12-2
Synchrotron siteSSRL
BeamlineBL12-2
Temperature [K]100
Detector technologyCCD
Collection date2013-05-29
DetectorADSC QUANTUM 315r
Wavelength(s)1.127
Spacegroup nameP 31
Unit cell lengths43.872, 43.872, 52.640
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution37.990 - 1.500
R-factor0.17244
Rwork0.172
R-free0.18474
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5hbl
RMSD bond length0.009
RMSD bond angle1.446
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.0001.530
High resolution limit [Å]1.5001.500
Rmerge0.0820.490
Number of reflections16889
<I/σ(I)>18.71.9
Completeness [%]93.961.5
Redundancy4.92.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52950.2 M sodium acetate in 0.1 M Tris HCl pH 8.5, and 30% PEG 4000

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