6F7P

Crystal structure of Human ARS2 residues 147-270 + 408-763


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP7.8281Crystals were obtained at 4 C in 2 microlitre hanging drops with a 1:1 ratio of protein solution at 6 mg per ml in 20 mM HEPES, 300 mM NaCl, 2 mM tris(2-carboxyethyl)phosphine pH 7.8) to crystallisation solution. The crystallisation solution was 0.2 M lithium sulphate and 20% (w/v) PEG 3550.
Crystal Properties
Matthews coefficientSolvent content
3.8367.86

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 136.64α = 90
b = 136.64β = 90
c = 158.79γ = 120
Symmetry
Space GroupP 31 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6M-F2015-10-31MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE MASSIF-10.966ESRFMASSIF-1

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Sym I (Observed)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
13.7118.3399.70.081112.116.3318658
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)CC (Half)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
13.73.898.21.1580.7631.446.16

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 REPLACEMENTTHROUGHOUT6F7J3.7118.331767997999.660.276060.274250.30909RANDOM202.198
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]
4.142.074.14-13.42
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.866
r_dihedral_angle_3_deg14.952
r_long_range_B_refined14.894
r_long_range_B_other14.893
r_dihedral_angle_4_deg10.02
r_mcangle_it9.921
r_mcangle_other9.92
r_scangle_other8.53
r_dihedral_angle_1_deg5.922
r_mcbond_other5.845
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.866
r_dihedral_angle_3_deg14.952
r_long_range_B_refined14.894
r_long_range_B_other14.893
r_dihedral_angle_4_deg10.02
r_mcangle_it9.921
r_mcangle_other9.92
r_scangle_other8.53
r_dihedral_angle_1_deg5.922
r_mcbond_other5.845
r_mcbond_it5.844
r_scbond_it4.692
r_scbond_other4.692
r_angle_refined_deg1.014
r_angle_other_deg0.846
r_chiral_restr0.058
r_bond_refined_d0.007
r_gen_planes_refined0.004
r_bond_other_d0.001
r_gen_planes_other0.001
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 Atoms7259
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing