1BGY

CYTOCHROME BC1 COMPLEX FROM BOVINE


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.8pH 6.8
Crystal Properties
Matthews coefficientSolvent content
3.661.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 130.11α = 90
b = 130.11β = 90
c = 720.94γ = 120
Symmetry
Space GroupP 65

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMARRESEARCH1996-08-19M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID2ESRFID2

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
134081.90.928.93.911167229.4
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)
33.1127.90.241.9

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMRTHROUGHOUT1BE33201011112022740.320.36RANDOM30
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]
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor31.4
p_staggered_tor26.7
p_planar_tor6.2
p_scangle_it4.437
p_scbond_it3.033
p_mcangle_it2.68
p_mcbond_it1.736
p_multtor_nbd0.3
p_xyhbond_nbd0.233
p_singtor_nbd0.222
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor31.4
p_staggered_tor26.7
p_planar_tor6.2
p_scangle_it4.437
p_scbond_it3.033
p_mcangle_it2.68
p_mcbond_it1.736
p_multtor_nbd0.3
p_xyhbond_nbd0.233
p_singtor_nbd0.222
p_chiral_restr0.141
p_planar_d0.05
p_angle_d0.043
p_plane_restr0.0249
p_bond_d0.01
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms31468
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms262

Software

Software
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
AMoREphasing
REFMACrefinement