1HZX

CRYSTAL STRUCTURE OF BOVINE RHODOPSIN


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16MES, 2-MERCAPTOETHANOL, ZINC ACETATE, HEPTANETRIOL, NONYL-GLUCOSIDE, AMMONIUM SULFATE ARE IN THE HANGING DROPS. MERCURY ACETATE, pH 6.00
Crystal Properties
Matthews coefficientSolvent content
4.170

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 97.246α = 90
b = 97.246β = 90
c = 149.544γ = 90
Symmetry
Space GroupP 41

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCD1999-12-12MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 19-IDAPS19-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
12.830970.1219.53.35332211.237.3
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)
12.82.980.70.691.172.5

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONTHROUGHOUT2.830244062202669.80.1750.212RANDOM45.3
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]
6.76.7-13.4
RMS Deviations
KeyRefinement Restraint Deviation
o_dihedral_angle_d20.1
o_scangle_it2.51
o_mcangle_it2.13
o_scbond_it1.53
o_angle_deg1.47
o_mcbond_it1.2
o_improper_angle_d0.85
o_bond_d0.01
o_bond_d_na
o_bond_d_prot
RMS Deviations
KeyRefinement Restraint Deviation
o_dihedral_angle_d20.1
o_scangle_it2.51
o_mcangle_it2.13
o_scbond_it1.53
o_angle_deg1.47
o_mcbond_it1.2
o_improper_angle_d0.85
o_bond_d0.01
o_bond_d_na
o_bond_d_prot
o_angle_d
o_angle_d_na
o_angle_d_prot
o_angle_deg_na
o_angle_deg_prot
o_dihedral_angle_d_na
o_dihedral_angle_d_prot
o_improper_angle_d_na
o_improper_angle_d_prot
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms5083
Nucleic Acid Atoms
Solvent Atoms12
Heterogen Atoms456

Software

Software
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
SHARPphasing