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3S3B

Structure of Thermus thermophilus cytochrome ba3 oxidase 240s after Xe depressurization

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyCCD
Collection date2009-12-11
DetectorADSC QUANTUM 315
Wavelength(s)1.127
Spacegroup nameP 43 21 2
Unit cell lengths109.920, 109.920, 170.110
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution92.320 - 3.300
R-factor0.2586
Rwork0.257
R-free0.29880
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1xme
RMSD bond length0.015
RMSD bond angle1.634
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.15)
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]92.32385.0553.480
High resolution limit [Å]3.30010.4403.300
Rmerge0.0630.562
Total number of observations1402356020
Number of reflections16369
<I/σ(I)>16.28.81.3
Completeness [%]99.997.7100
Redundancy24.923.123.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729712-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K

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