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6KP1

Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsRRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron siteRRCAT INDUS-2
BeamlinePX-BL21
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2018-09-18
DetectorMAR scanner 345 mm plate
Wavelength(s)0.9778
Spacegroup nameP 1
Unit cell lengths51.806, 57.496, 69.444
Unit cell angles89.92, 82.48, 67.83
Refinement procedure
Resolution21.450 - 2.190
R-factor0.2204
Rwork0.218
R-free0.27020
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6a8z
RMSD bond length0.003
RMSD bond angle0.616
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.10.1_2155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.5002.260
High resolution limit [Å]2.1902.190
Number of reflections367072953
<I/σ(I)>9.63.2
Completeness [%]97.3
Redundancy3.3
CC(1/2)0.9970.956
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH294Bis-tris, ammonium formate, PEG3350

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