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3RYB

Lactococcal OppA complexed with SLSQSLSQS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-1
Synchrotron siteESRF
BeamlineID14-1
Temperature [K]70
Detector technologyCCD
Collection date2009-09-25
DetectorADSC QUANTUM 210
Wavelength(s)0.934
Spacegroup nameP 1
Unit cell lengths42.379, 58.921, 61.404
Unit cell angles100.66, 101.31, 103.45
Refinement procedure
Resolution30.700 - 1.500
R-factor0.1645
Rwork0.163
R-free0.20050
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3drf chain A
RMSD bond length0.011
RMSD bond angle1.328
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER (2.1.4)
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.7304.2401.610
High resolution limit [Å]1.5003.0101.500
Rmerge0.0340.0160.281
Number of reflections83652656714543
<I/σ(I)>15.7841.342.9
Completeness [%]93.493.192.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72930.2M NACL, 0.1M NA-HEPES, 20% PEG 6000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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