5ZU0

Proteobacterial origin of protein arginine methylation and regulation of Complex I assembly by MidA


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP2930.2M potassium sodium tartrate tetrahydrate, 0.1M BIS-TRIS pH 6.5, 10% w/v polyethylene glycol 10000
Crystal Properties
Matthews coefficientSolvent content
2.7254.83

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 72.828α = 90
b = 105.163β = 90
c = 201.221γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray173CCDRAYONIX MX300HE2012-05-11MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSRRC BEAMLINE BL15A10.9870, 0.9794, 0.9642NSRRCBL15A1

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Sym 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
12.76100.6198.090.1812.6413.939759
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.762.86

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 DIFFRACTIONTHROUGHOUT2.76100.6137784197598.070.201860.200060.23583RANDOM58.353
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]
-3.063.06
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.859
r_dihedral_angle_4_deg22.008
r_dihedral_angle_3_deg14.576
r_long_range_B_refined7.77
r_long_range_B_other7.765
r_dihedral_angle_1_deg6.818
r_scangle_other5.066
r_mcangle_it4.301
r_mcangle_other4.301
r_scbond_it3.311
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.859
r_dihedral_angle_4_deg22.008
r_dihedral_angle_3_deg14.576
r_long_range_B_refined7.77
r_long_range_B_other7.765
r_dihedral_angle_1_deg6.818
r_scangle_other5.066
r_mcangle_it4.301
r_mcangle_other4.301
r_scbond_it3.311
r_scbond_other3.311
r_mcbond_other2.618
r_mcbond_it2.617
r_angle_refined_deg1.528
r_angle_other_deg0.976
r_chiral_restr0.095
r_bond_refined_d0.01
r_gen_planes_refined0.005
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 Atoms9579
Nucleic Acid Atoms
Solvent Atoms175
Heterogen Atoms78

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
PHENIXphasing