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6Q8S

Elastase (PPE) under 2 kbar of argon

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2018-07-25
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.77
Spacegroup nameP 21 21 21
Unit cell lengths49.839, 58.215, 74.256
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.810 - 1.800
R-factor0.14779
Rwork0.145
R-free0.19970
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.011
RMSD bond angle1.421
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareFFT
Refinement softwareREFMAC (5.8.0222)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]58.2101.740
High resolution limit [Å]1.7001.700
Rmerge0.0730.090
Rmeas0.0810.109
Rpim0.0310.076
Number of reflections21185384
<I/σ(I)>26.2
Completeness [%]86.822.2
Redundancy10.53
CC(1/2)0.9970.980
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE5.529820 MICROLITER OF PROTEIN (20 mg/ML) BUFFER ACETATE 0.05M + 2 MICROLITER SODIUM SULFATE SATURATED.

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