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9FUO

Crystal structure of SNAr1.3 (K39A)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2024-04-27
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.9763
Spacegroup nameP 31 2 1
Unit cell lengths70.188, 70.188, 119.281
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution54.160 - 1.810
R-factor0.1965
Rwork0.194
R-free0.23130
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.764
Data reduction softwarexia2
Data scaling softwarexia2
Phasing softwarePHASER
Refinement softwarePHENIX (1.21_5207)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.1801.840
High resolution limit [Å]1.8101.810
Number of reflections317371575
<I/σ(I)>12.7
Completeness [%]100.0
Redundancy20.1
CC(1/2)1.0000.300
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.2 M sodium citrate tribasic dihydrate, 20% PEG 3350

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