1RGI

Crystal structure of gelsolin domains G1-G3 bound to actin


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP4.52772% PEG 8000, 100 mM Sodium acetate, 1 mM CaCl2, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Crystal Properties
Matthews coefficientSolvent content
4.8974.83

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 145.245α = 90
b = 145.245β = 90
c = 129.948γ = 120
Symmetry
Space GroupP 31 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray200CCDADSC QUANTUM 42002-11-01MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID291.0052ESRFID29

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Sym 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
13200.05921.32.93110431104-3
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
133.1198.50.3833.23.87

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 (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1P8Z319.963110129527157097.530.225790.224080.25755RANDOM30.414
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]
-0.01-0.01-0.010.02
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.922
r_scangle_it2.52
r_scbond_it1.436
r_angle_refined_deg1.393
r_mcangle_it1.005
r_angle_other_deg0.812
r_mcbond_it0.509
r_nbd_other0.226
r_nbd_refined0.208
r_symmetry_vdw_other0.207
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.922
r_scangle_it2.52
r_scbond_it1.436
r_angle_refined_deg1.393
r_mcangle_it1.005
r_angle_other_deg0.812
r_mcbond_it0.509
r_nbd_other0.226
r_nbd_refined0.208
r_symmetry_vdw_other0.207
r_xyhbond_nbd_refined0.173
r_metal_ion_refined0.119
r_symmetry_vdw_refined0.094
r_nbtor_other0.09
r_chiral_restr0.079
r_symmetry_hbond_refined0.07
r_bond_refined_d0.013
r_gen_planes_refined0.005
r_bond_other_d0.002
r_gen_planes_other0.002
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_nbtor_refined
r_xyhbond_nbd_other
r_metal_ion_other
r_symmetry_hbond_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms5480
Nucleic Acid Atoms
Solvent Atoms26
Heterogen Atoms35

Software

Software
Software NamePurpose
REFMACrefinement
SCALEPACKdata scaling
AMoREphasing
CNSrefinement
DENZOdata reduction