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7H58

Crystal structure of endothiapepsin PF_RT2 in complex with AC39729 at 296 K

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]296
Detector technologyPIXEL
Collection date2023-09-15
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths45.178, 73.482, 51.999
Unit cell angles90.00, 108.48, 90.00
Refinement procedure
Resolution42.850 - 1.979
R-factor0.2406
Rwork0.239
R-free0.27780
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.990
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.4 (23-JAN-2024))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.9502.090
High resolution limit [Å]1.9791.980
Number of reflections224323512
<I/σ(I)>7.44
Completeness [%]99.397.2
Redundancy6.887.05
CC(1/2)0.9900.590
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.62930.1 M ammonium acetate, 0.1 M sodium acetate pH 4.6, and 26 - 30% (v/v) PEG 4000

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