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7Z2S

Escherichia coli periplasmic phytase AppA, complex with myo-inositol hexakissulfate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2017-07-26
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.9762
Spacegroup nameP 1 21 1
Unit cell lengths63.650, 47.760, 65.550
Unit cell angles90.00, 100.82, 90.00
Refinement procedure
Resolution38.360 - 1.720
R-factor0.1529
Rwork0.150
R-free0.20640
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1dkl
RMSD bond length0.007
RMSD bond angle0.847
Data reduction softwarexia2
Data scaling softwarepointless
Phasing softwarePHASER
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.3601.781
High resolution limit [Å]1.7201.720
Rpim0.0560.501
Number of reflections409023952
<I/σ(I)>10.041.65
Completeness [%]98.9
Redundancy6.5
CC(1/2)0.9960.517
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5289100 mM MES pH 6.5, 18 % w/v PEG 8000, 200 mM calcium acetate. Soaked in 20 % w/v PEG 3350, 9 mM IHS in 0.6 M glycine pH 3.0, 20 % glycerol.

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