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4YZN

Humanized Roco4 bound to Compound 19

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2013-07-13
DetectorPSI PILATUS 6M
Wavelength(s)0.99995
Spacegroup nameP 43 21 2
Unit cell lengths42.400, 42.400, 326.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution37.640 - 1.550
R-factor0.18887
Rwork0.187
R-free0.21595
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4f0f
RMSD bond length0.029
RMSD bond angle2.613
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0093)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]37.6401.600
High resolution limit [Å]1.5501.550
Rmerge0.557
Number of reflections45260
<I/σ(I)>8.512.2
Completeness [%]99.799.5
Redundancy3.43.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5293.15100 mM 1,3-bis(tris(hydroxymethyl)methylamino)propane pH 8.5 200mM Na/K tartrate

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