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5NDC

Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeFREE ELECTRON LASER
Source detailsSACLA BEAMLINE BL3
Synchrotron siteSACLA
BeamlineBL3
Temperature [K]293
Detector technologyCCD
Collection date2016-02-07
DetectorMPCCD
Wavelength(s)1.6314
Spacegroup nameC 1 2 1
Unit cell lengths145.850, 100.320, 96.620
Unit cell angles90.00, 126.76, 90.00
Refinement procedure
Resolution36.400 - 2.300
R-factor0.1635
Rwork0.162
R-free0.19749
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3s8f
RMSD bond length0.012
RMSD bond angle1.612
Data reduction softwareCrystFEL (0.6.1)
Data scaling softwareCrystFEL (0.6.1)
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.4002.340
High resolution limit [Å]2.3002.300
Number of reflections50602
<I/σ(I)>3.74
Completeness [%]100.0
Redundancy14.714.7
CC(1/2)0.9560.366
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1LIPIDIC CUBIC PHASE5.3293100mM sodium cacodylate trihydrate pH 5.3, 37% PEG400, 1.4M NaCl Room temperature for 2-3 days

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