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4H57

Thermolysin inhibition

Replaces:  3FWD
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.2
Synchrotron siteBESSY
Beamline14.2
Temperature [K]100
Detector technologyCCD
Collection date2008-06-20
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.91841
Spacegroup nameP 61 2 2
Unit cell lengths92.452, 92.452, 129.778
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution22.632 - 1.560
R-factor0.1488
Rwork0.148
R-free0.16710
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1tmn
RMSD bond length0.012
RMSD bond angle1.078
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX ((phenix.refine: 1.8_1069))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]27.0001.590
High resolution limit [Å]1.5601.560
Number of reflections46395
<I/σ(I)>15.42.9
Completeness [%]98.187.8
Redundancy43.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.528850MM TRIS/HCL, 50%DMSO, 1.9M CSCL,, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K

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