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6AEA

Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 5 hours under fibrillation conditions

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALBA BEAMLINE XALOC
Synchrotron siteALBA
BeamlineXALOC
Temperature [K]100
Detector technologyPIXEL
Collection date2018-04-06
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9792
Spacegroup nameP 43 21 2
Unit cell lengths79.460, 79.460, 36.950
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution56.190 - 1.400
R-factor0.16384
Rwork0.162
R-free0.19788
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1dpx
RMSD bond length0.028
RMSD bond angle2.543
Data reduction softwareiMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]56.1901.480
High resolution limit [Å]1.4001.400
Rmerge0.140
Number of reflections23907
<I/σ(I)>8.6
Completeness [%]99.9
Redundancy4.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29210% PEG 6000 and 2M NaCl

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