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4TLP

Crystal structure of a alanine91 mutant of WCI

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date2014-02-13
DetectorMAR CCD 130 mm
Wavelength(s)0.987
Spacegroup nameP 21 21 21
Unit cell lengths35.290, 69.950, 70.330
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.165 - 1.900
R-factor0.1725
Rwork0.171
R-free0.20520
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1eyl
RMSD bond length0.007
RMSD bond angle1.225
Refinement softwarePHENIX ((phenix.refine: 1.8_1069))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.165
High resolution limit [Å]1.9001.900
Number of reflections14305
<I/σ(I)>16.516.5
Completeness [%]100.0100
Redundancy14.214.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP429330% PEG6000, 0.1M Sodium Citrate

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