2AHE | pdb_00002ahe

Crystal structure of a soluble form of CLIC4. intercellular chloride ion channel


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1KOM 

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.1743.21

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 77.717α = 90
b = 79.478β = 90
c = 42.6γ = 90
Symmetry
Space GroupP 21 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMARRESEARCHOSMIC MIRRORS2003-09-22MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODEENRAF-NONIUS FR5711.5418

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (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
11.855.999.870.0630.0638.35844.652513725137
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
1.81.999.870.580.581.34.563600

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 (All)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1KOM1.824.622381523815128199.730.196180.196180.194460.210.229410.21RANDOM26.65
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]
0.470.13-0.6
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg31.741
r_dihedral_angle_4_deg17.571
r_dihedral_angle_3_deg13.373
r_dihedral_angle_1_deg5.65
r_scangle_it4.208
r_scbond_it3.05
r_mcangle_it1.677
r_angle_refined_deg1.536
r_mcbond_it1.427
r_angle_other_deg0.855
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg31.741
r_dihedral_angle_4_deg17.571
r_dihedral_angle_3_deg13.373
r_dihedral_angle_1_deg5.65
r_scangle_it4.208
r_scbond_it3.05
r_mcangle_it1.677
r_angle_refined_deg1.536
r_mcbond_it1.427
r_angle_other_deg0.855
r_symmetry_vdw_refined0.299
r_mcbond_other0.298
r_nbd_refined0.224
r_symmetry_vdw_other0.218
r_nbtor_refined0.181
r_nbd_other0.178
r_xyhbond_nbd_refined0.14
r_symmetry_hbond_refined0.127
r_chiral_restr0.092
r_nbtor_other0.084
r_bond_refined_d0.018
r_gen_planes_refined0.007
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 Atoms1820
Nucleic Acid Atoms
Solvent Atoms196
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
CCP4data scaling
AMoREphasing