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7C2D

Esterase AlinE4 mutant-S13A

Replaces:  6M46Replaces:  6IQB
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U1
Synchrotron siteSSRF
BeamlineBL17U1
Temperature [K]80
Detector technologyCCD
Collection date2018-05-16
DetectorADSC QUANTUM 315r
Wavelength(s)0.97915
Spacegroup nameP 42 21 2
Unit cell lengths79.810, 79.810, 60.820
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.900 - 1.750
R-factor0.1724
Rwork0.171
R-free0.20490
Structure solution methodSAD
Starting model (for MR)4jgg
RMSD bond length0.006
RMSD bond angle0.781
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.14_3247)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.9001.840
High resolution limit [Å]1.7501.750
Rmerge0.0490.104
Number of reflections204192929
<I/σ(I)>12.9
Completeness [%]100.0
Redundancy2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP291.151M Sodium acetate, 100mM HEPES, pH 7.5, 50mM Cadmium sulfate

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