1RG5

Structure of the photosynthetic reaction centre from Rhodobacter sphaeroides carotenoidless strain R-26.1


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP8289Trisodium citrate, LDAO, 1,2,3-heptanetriol, Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 16.0K

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 144.033α = 90
b = 144.033β = 90
c = 190.072γ = 120
Symmetry
Space GroupP 31 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray298CCDADSC QUANTUM 4mirrors2002-02-07MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSRS BEAMLINE PX9.60.87SRSPX9.6

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
12.523.3499.10.074114.7786867868657.4
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)
12.52.54990.8642.24.83889

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 REPLACEMENTTHROUGHOUT2.523.347868274764391899.120.156720.156720.155410.18188RANDOM52.933
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]
0.870.440.87-1.31
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.024
r_dihedral_angle_4_deg19.303
r_dihedral_angle_3_deg16.258
r_dihedral_angle_1_deg5.699
r_scangle_it2.51
r_scbond_it1.714
r_angle_refined_deg1.686
r_angle_other_deg1.322
r_mcangle_it1.107
r_mcbond_it0.907
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.024
r_dihedral_angle_4_deg19.303
r_dihedral_angle_3_deg16.258
r_dihedral_angle_1_deg5.699
r_scangle_it2.51
r_scbond_it1.714
r_angle_refined_deg1.686
r_angle_other_deg1.322
r_mcangle_it1.107
r_mcbond_it0.907
r_symmetry_vdw_other0.295
r_nbd_refined0.2
r_nbd_other0.172
r_mcbond_other0.146
r_xyhbond_nbd_refined0.12
r_chiral_restr0.106
r_nbtor_other0.09
r_symmetry_vdw_refined0.078
r_symmetry_hbond_refined0.054
r_bond_refined_d0.017
r_gen_planes_refined0.008
r_bond_other_d0.001
r_gen_planes_other0.001
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms6474
Nucleic Acid Atoms
Solvent Atoms243
Heterogen Atoms688

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling
AMoREphasing