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6ZZG

MB_CRS6-1 bound to CrSAS-6_N

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2018-07-23
DetectorPSI PILATUS 6M
Wavelength(s)1
Spacegroup nameC 2 2 21
Unit cell lengths164.451, 347.187, 94.851
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.400 - 2.930
R-factor0.2228
Rwork0.221
R-free0.25380
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3q0y
RMSD bond length0.003
RMSD bond angle0.782
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMOLREP
Refinement softwarePHENIX (1.15_3459)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.4003.070
High resolution limit [Å]2.9302.930
Number of reflections2735589570
<I/σ(I)>5.98
Completeness [%]99.5
Redundancy4.5
CC(1/2)0.9980.517
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2910.3 M Sodium acetate trihydrate, 10%w/vPEG8000, 10%w/v PEG 1000, 4% v/v 1,1,1,3,3,3-Hexafluoro-2-propanol, 0.1 M Tris pH 8.5

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