5FSW

RNA dependent RNA polymerase QDE-1 from Thielavia terrestris


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
18100 MM TRIS PH8, 75 MM NACL, 10% PEG10K
Crystal Properties
Matthews coefficientSolvent content
2.8456

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 84.23α = 90
b = 165.95β = 90.1
c = 173.89γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 2M-F2015-11-28MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSLS BEAMLINE X06DASLSX06DA

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
13.195099.20.178.233.47787672
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)
13.193.3896.40.413.143.5

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 2J7N3.1948.9175503382999.720.214810.212970.25094RANDOM60.585
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]
-7.231.539.93-2.7
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.017
r_dihedral_angle_4_deg20.643
r_dihedral_angle_3_deg20.431
r_dihedral_angle_1_deg8.018
r_angle_refined_deg1.849
r_angle_other_deg1.637
r_chiral_restr0.099
r_bond_refined_d0.015
r_gen_planes_refined0.01
r_gen_planes_other0.01
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.017
r_dihedral_angle_4_deg20.643
r_dihedral_angle_3_deg20.431
r_dihedral_angle_1_deg8.018
r_angle_refined_deg1.849
r_angle_other_deg1.637
r_chiral_restr0.099
r_bond_refined_d0.015
r_gen_planes_refined0.01
r_gen_planes_other0.01
r_bond_other_d0.009
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_mcbond_it
r_mcbond_other
r_mcangle_it
r_mcangle_other
r_scbond_it
r_scbond_other
r_scangle_it
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 Atoms28130
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
BALBESphasing