2AF0

Structure of the Regulator of G-Protein Signaling Domain of RGS2


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP6.5298(NH4)2SO4, NaCl, cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Crystal Properties
Matthews coefficientSolvent content
237.9

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 43.754α = 90
b = 43.754β = 90
c = 158.451γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARRESEARCH2005-06-10MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSLS BEAMLINE X10SA0.97730SLSX10SA

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.336.998.675317422
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
2.32.3899.7

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)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 REPLACEMENTTHROUGHOUT2.333.69683334596.540.27210.227210.225750.2561RANDOM55.407
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]
3.243.24-6.47
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg41.306
r_dihedral_angle_3_deg16.832
r_dihedral_angle_4_deg11.876
r_dihedral_angle_1_deg5.543
r_scangle_it2.103
r_scbond_it1.331
r_angle_refined_deg1.248
r_mcangle_it0.937
r_angle_other_deg0.829
r_mcbond_it0.533
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg41.306
r_dihedral_angle_3_deg16.832
r_dihedral_angle_4_deg11.876
r_dihedral_angle_1_deg5.543
r_scangle_it2.103
r_scbond_it1.331
r_angle_refined_deg1.248
r_mcangle_it0.937
r_angle_other_deg0.829
r_mcbond_it0.533
r_symmetry_vdw_refined0.27
r_nbd_refined0.217
r_symmetry_vdw_other0.197
r_nbtor_refined0.189
r_nbd_other0.174
r_xyhbond_nbd_refined0.154
r_mcbond_other0.105
r_nbtor_other0.087
r_symmetry_hbond_refined0.08
r_chiral_restr0.068
r_bond_refined_d0.012
r_gen_planes_refined0.004
r_bond_other_d0.001
r_gen_planes_other0.001
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1149
Nucleic Acid Atoms
Solvent Atoms17
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
XDSdata scaling
PHASERphasing