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7OA2

Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with pyrophosphate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-12-06
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.972
Spacegroup nameP 41 21 2
Unit cell lengths61.312, 61.312, 138.535
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.910 - 2.700
R-factor0.291
Rwork0.289
R-free0.31840
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7ns9
RMSD bond length0.012
RMSD bond angle1.500
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.19.1_4122)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.9102.800
High resolution limit [Å]2.7002.700
Rmerge0.034
Rmeas0.048
Number of reflections6390636
<I/σ(I)>8.7
Completeness [%]78.5
Redundancy1.9
CC(1/2)0.9990.778
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP277Crystals were grown in 1:1 mixtures of JCSG Core IA11 (0.2M Potassium acetate, 20%(w/v) PEG 3350) and 10 mg/ml protein in 200 mM NaCl, 50 mM Tris, pH 9.0

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PDB entries from 2024-07-03

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