6T6Q

Crystal structure of Toxoplasma gondii Morn1 (extended conformation).


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP295.150.1 M Tris-HCl pH 8.2, 15% PEG 3350, 0.2 M NaCl
Crystal Properties
Matthews coefficientSolvent content
2.5651.97

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 53.916α = 90
b = 53.916β = 90
c = 348.849γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS3 6M2017-03-03MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID30B0.967ESRFID30B

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge 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
12.948.9299.10.140.99211.88.412331
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)CC (Half)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.93.082.2520.7720.58

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTFREE R-VALUE6T4D2.90248.921225459398.9020.2780.27610.311186.807
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]
6.4556.455-12.911
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg28.274
r_dihedral_angle_3_deg17.083
r_dihedral_angle_4_deg15.388
r_dihedral_angle_1_deg6.824
r_lrange_it4.439
r_lrange_other4.438
r_mcangle_it2.757
r_mcangle_other2.757
r_scangle_it2.6
r_scangle_other2.599
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg28.274
r_dihedral_angle_3_deg17.083
r_dihedral_angle_4_deg15.388
r_dihedral_angle_1_deg6.824
r_lrange_it4.439
r_lrange_other4.438
r_mcangle_it2.757
r_mcangle_other2.757
r_scangle_it2.6
r_scangle_other2.599
r_angle_other_deg2.45
r_mcbond_it1.61
r_mcbond_other1.609
r_scbond_it1.456
r_scbond_other1.455
r_angle_refined_deg1.213
r_nbd_other0.243
r_symmetry_nbd_other0.204
r_symmetry_nbd_refined0.202
r_nbd_refined0.191
r_nbtor_refined0.173
r_xyhbond_nbd_refined0.106
r_symmetry_nbtor_other0.067
r_symmetry_xyhbond_nbd_refined0.065
r_bond_other_d0.038
r_chiral_restr0.038
r_gen_planes_other0.004
r_gen_planes_refined0.003
r_bond_refined_d0.002
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3319
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing