6F1E

Crystal structure of olive flounder [Paralichthys olivaceus] interferon gamma at 2.3 Angstrom resolution


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6293Protein buffer: 100 mM citrate buffer, pH 6.0 Reservoir: 3 M NaCl 0.1 M Bis-Tris, pH 5.5
Crystal Properties
Matthews coefficientSolvent content
2.8657.01

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 58.238α = 90
b = 79.721β = 90
c = 94.6γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS3 6M2017-05-12MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONBESSY BEAMLINE 14.10.91841BESSY14.1

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Rrim I (All)Rpim I (All)CC (Half)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
12.29649.699.60.1020.110.0420.99913.512.920255-351
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Rrim I (All)Rpim I (All)CC (Half)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.2962.3897.42.7112.9561.1630.5590.911.9

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 DIFFRACTIONSADTHROUGHOUT2.29649.592020497899.590.228980.226470.29666Random selection76.012
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]
6.02-1.9-4.12
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg35.219
r_dihedral_angle_3_deg19.242
r_dihedral_angle_4_deg16.981
r_long_range_B_other13.043
r_long_range_B_refined13.041
r_scangle_other10.494
r_mcangle_other8.202
r_mcangle_it8.199
r_dihedral_angle_1_deg6.792
r_scbond_it6.738
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg35.219
r_dihedral_angle_3_deg19.242
r_dihedral_angle_4_deg16.981
r_long_range_B_other13.043
r_long_range_B_refined13.041
r_scangle_other10.494
r_mcangle_other8.202
r_mcangle_it8.199
r_dihedral_angle_1_deg6.792
r_scbond_it6.738
r_scbond_other6.704
r_mcbond_it5.694
r_mcbond_other5.691
r_angle_refined_deg1.599
r_angle_other_deg0.972
r_chiral_restr0.077
r_bond_refined_d0.014
r_gen_planes_refined0.007
r_bond_other_d0.002
r_gen_planes_other0.002
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2248
Nucleic Acid Atoms
Solvent Atoms38
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
Aimlessdata scaling
SHELXCDphasing