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7ZYF

Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP13 (MX1)
Temperature [K]100
Detector technologyPIXEL
Collection date2019-08-11
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.976260
Spacegroup nameP 1 21 1
Unit cell lengths73.478, 120.051, 141.246
Unit cell angles90.00, 103.28, 90.00
Refinement procedure
Resolution137.470 - 2.810
R-factor0.2734
Rwork0.271
R-free0.31430
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5mj6
RMSD bond length0.005
RMSD bond angle0.899
Data reduction softwareXDS
Data scaling softwareSTARANISO
Phasing softwarePHASER
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]137.5002.910
High resolution limit [Å]2.8102.810
Rmerge0.102
Number of reflections580035657
<I/σ(I)>6.562.62
Completeness [%]99.697.92
Redundancy2
CC(1/2)0.9510.500
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5278.150.1M MMT (Malic acid, MES, Tris) 25% w/v PEG 1500 20% EG

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