Experiment: 2FYN

 2FYN

Crystal Structure Analysis of the double mutant Rhodobacter Sphaeroides bc1 complex


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1QCRPDB entry 1qcr

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1EVAPORATION7.5288.210% PEG400, 0.2 M NaCl, 0.2 M Histidine, 0.1M Tris, 10% Glycerol, 5 mM NaN3, 10% Glycerol, 2mM DHPC, 0.5% beta-octyl glucopyranoside, 0.06% sucrose monocarprate, 10mM Sr(NO3)2, pH 7.5, EVAPORATION, temperature 288.2K
Crystal Properties
Matthews coefficientSolvent content
3.3863.6

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 351.3α = 90
b = 147.13β = 103.94
c = 160.83γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARRESEARCHmirrors2005-02-05MSINGLE WAVELENGTH
21x-ray100CCDMARRESEARCHmirrors2005-02-05MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 22-ID1.0APS22-ID
2SYNCHROTRONAPS BEAMLINE 22-ID1.0APS22-ID

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
1,235094.30.1278.43.7160039155528-1
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
33.1194.30.3911.372.213841

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB entry 1qcr3.218130217123993210295.20.2240.2240.2240.254RANDOM66
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
-12.98-9.87-5.7618.73
RMS Deviations
KeyRefinement Restraint Deviation
c_dihedral_angle_d22.2
c_scangle_it3.85
c_mcangle_it3.33
c_scbond_it2.44
c_mcbond_it1.91
c_angle_deg1.7
c_improper_angle_d1.12
c_bond_d0.013
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms40398
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms1290

Software

Software
Software NamePurpose
CNSrefinement
HKL-2000data reduction
SCALEPACKdata scaling
MOLREPphasing
PHASERphasing