5FX0

Fasciola hepatica calcium binding protein FhCaBP2: Structure of the dynein light chain-like domain. P6422 native.


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
18.510 ML OF 10 MM TRIS-HCL PH 8.5, 50 MM SODIUM CHLORIDE, 20 % (W/V) PEG 3350, 0.2 M SODIUM TARTRATE
Crystal Properties
Matthews coefficientSolvent content
1.8533.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 59.63α = 90
b = 59.63β = 90
c = 90.062γ = 120
Symmetry
Space GroupP 64 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6MSI(111) CHANNEL-CUT, CRYOCOOLEDELLIPTICALLY BENT VERTICAL AND HORIZONTAL FOCUSSING MIRRORS2015-10-22MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALBA BEAMLINE XALOCALBAXALOC

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
12.2501000.0622.711525341.2
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)
12.22.321000.49511.7

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 5FWZ2.351.64409348499.740.209380.202110.27491RANDOM62.215
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]
1.80.91.8-5.84
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg29.749
r_dihedral_angle_4_deg22.346
r_dihedral_angle_3_deg17.22
r_scangle_it7.95
r_dihedral_angle_1_deg6.557
r_mcangle_it6.125
r_scbond_it5.034
r_mcbond_it3.856
r_mcbond_other3.842
r_angle_refined_deg1.452
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg29.749
r_dihedral_angle_4_deg22.346
r_dihedral_angle_3_deg17.22
r_scangle_it7.95
r_dihedral_angle_1_deg6.557
r_mcangle_it6.125
r_scbond_it5.034
r_mcbond_it3.856
r_mcbond_other3.842
r_angle_refined_deg1.452
r_angle_other_deg0.944
r_xyhbond_nbd_refined0.219
r_symmetry_vdw_refined0.206
r_nbd_refined0.18
r_nbtor_refined0.177
r_symmetry_vdw_other0.164
r_nbd_other0.163
r_chiral_restr0.092
r_symmetry_hbond_refined0.084
r_nbtor_other0.076
r_xyhbond_nbd_other0.029
r_bond_refined_d0.011
r_gen_planes_refined0.005
r_bond_other_d0.002
r_gen_planes_other0.001
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms816
Nucleic Acid Atoms
Solvent Atoms7
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
PHASERphasing