2PPI

Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP62820.1 M NaNO3, 0.1 M Na2SO4, 0.05 M Na/KPO4, 0.0285 M (NH4)2SO4, 30% PEG3350, 10% Ethylene glycol pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 282K
Crystal Properties
Matthews coefficientSolvent content
3.6766.47

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 75.664α = 90
b = 75.664β = 90
c = 167.632γ = 90
Symmetry
Space GroupI 41 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARMOSAIC 225 mm CCD2006-11-26MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSLS BEAMLINE X10SA0.9787SLSX10SA

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
12.444.999.30.07565.8598769876
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)
12.42.599.20.690641102

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB entry 1BUO2.444.99409940947499.50.281850.281850.281210.29556RANDOM65.051
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]
0.490.49-0.98
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg43.246
r_dihedral_angle_4_deg20.798
r_dihedral_angle_3_deg15.895
r_dihedral_angle_1_deg6.774
r_scangle_it2.164
r_scbond_it1.383
r_angle_refined_deg1.221
r_angle_other_deg0.909
r_mcangle_it0.896
r_mcbond_it0.546
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg43.246
r_dihedral_angle_4_deg20.798
r_dihedral_angle_3_deg15.895
r_dihedral_angle_1_deg6.774
r_scangle_it2.164
r_scbond_it1.383
r_angle_refined_deg1.221
r_angle_other_deg0.909
r_mcangle_it0.896
r_mcbond_it0.546
r_symmetry_vdw_other0.199
r_xyhbond_nbd_refined0.198
r_nbd_refined0.191
r_nbd_other0.185
r_nbtor_refined0.174
r_symmetry_vdw_refined0.119
r_mcbond_other0.105
r_symmetry_hbond_refined0.104
r_nbtor_other0.084
r_chiral_restr0.07
r_bond_refined_d0.011
r_gen_planes_refined0.004
r_bond_other_d0.001
r_gen_planes_other0.001
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms852
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
CCP4data scaling
PHASERphasing