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6IHU

Crystal structure of bacterial serine phosphatase bearing R161A mutation

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2017-11-30
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9735
Spacegroup nameP 1 21 1
Unit cell lengths46.998, 37.745, 65.575
Unit cell angles90.00, 102.87, 90.00
Refinement procedure
Resolution29.475 - 1.840
R-factor0.1705
Rwork0.169
R-free0.20040
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5f1m
RMSD bond length0.003
RMSD bond angle0.593
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX ((1.10.1_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.920
High resolution limit [Å]1.8401.840
Rmerge0.1000.272
Number of reflections186461702
<I/σ(I)>12.3
Completeness [%]95.4
Redundancy3.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2890.2 M NaCl, 0.1 M HEPES (pH=7.5), 25% PEG 3350.

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