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5AMC

Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta fluorogenic fragment 4-10

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2014-11-24
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 1
Unit cell lengths73.029, 76.470, 83.158
Unit cell angles88.78, 64.25, 75.64
Refinement procedure
Resolution74.530 - 1.650
R-factor0.20934
Rwork0.208
R-free0.24169
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3nxq
RMSD bond length0.010
RMSD bond angle1.363
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0103)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.8101.740
High resolution limit [Å]1.6501.650
Rmerge0.0800.710
Number of reflections172512
<I/σ(I)>6.41.3
Completeness [%]91.863.8
Redundancy32.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.50.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000

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