2IPZ

A Parallel Coiled-Coil Tetramer with Offset Helices


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP7.829510% Iso-propanol, 20% PEG 4000, 0.1M sodium bromide, 0.1M sodium HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Crystal Properties
Matthews coefficientSolvent content
2.0840.84

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 23.783α = 90
b = 53.878β = 95.77
c = 52.016γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMAR scanner 345 mm plate2005-10-07MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X4A0.9795NSLSX4A

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
11.355294.40.04717.53.4271032710314.2
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)
11.351.3795.30.3954.93.71379

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 2B221.3551.992710327103272994.40.20570.205760.202060.23709RANDOM20.328
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]
0.7-0.430.1-0.88
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it4.495
r_dihedral_angle_1_deg4.095
r_scbond_it2.733
r_mcangle_it1.76
r_angle_refined_deg1.26
r_mcbond_it0.876
r_symmetry_vdw_refined0.225
r_nbd_refined0.205
r_xyhbond_nbd_refined0.127
r_symmetry_hbond_refined0.101
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it4.495
r_dihedral_angle_1_deg4.095
r_scbond_it2.733
r_mcangle_it1.76
r_angle_refined_deg1.26
r_mcbond_it0.876
r_symmetry_vdw_refined0.225
r_nbd_refined0.205
r_xyhbond_nbd_refined0.127
r_symmetry_hbond_refined0.101
r_chiral_restr0.074
r_bond_refined_d0.01
r_gen_planes_refined0.006
r_bond_other_d
r_angle_other_deg
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_gen_planes_other
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1116
Nucleic Acid Atoms
Solvent Atoms164
Heterogen Atoms10

Software

Software
Software NamePurpose
REFMACrefinement
MAR345data collection
DENZOdata reduction
SCALEPACKdata scaling
PHASERphasing