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6WEC

Multi-Hit SFX using MHz XFEL sources

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeFREE ELECTRON LASER
Source detailsEUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron siteEuropean XFEL
BeamlineSPB/SFX
Temperature [K]293
Detector technologyPIXEL
Collection date2017-09-14
DetectorAGIPD
Wavelength(s)1.3332
Spacegroup nameP 43 21 2
Unit cell lengths79.300, 79.300, 37.730
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution21.660 - 2.100
R-factor0.2541
Rwork0.249
R-free0.29870
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6ftr
RMSD bond length0.004
RMSD bond angle1.254
Data reduction softwareCrystFEL
Data scaling softwareAimless (0.7.4)
Phasing softwarePHASER (2.8.3)
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]21.6602.155
High resolution limit [Å]2.1002.100
Number of reflections7310494
<I/σ(I)>2.9
Completeness [%]98.592.34
Redundancy1
CC(1/2)0.6150.372
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE3.5293NaCl, ethylene glycol, PEG 3350, acetate buffer pH 3.5

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