4NZ0

The EMCV 3Dpol structure at 2.8A resolution


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
14.62934.0M Ammonium acetate, 0.1M Sodium acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
3.5865.61

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 230.4α = 90
b = 140.786β = 125.86
c = 170.579γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELPSI PILATUS 6M2013-02-02MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALBA BEAMLINE XALOCALBAXALOC

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.69138.2981195402
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.692.8492.50.620.4916.32.4

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 (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1U092.8138.2275543101992537098.80.2470.2460.268RANDOM92.72
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]
1.630.58-0.55-0.94
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg28.333
r_dihedral_angle_3_deg12.688
r_dihedral_angle_4_deg10.441
r_dihedral_angle_1_deg4.246
r_long_range_B_refined2.141
r_long_range_B_other2.141
r_mcangle_it1.089
r_mcangle_other1.089
r_angle_refined_deg0.768
r_angle_other_deg0.669
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg28.333
r_dihedral_angle_3_deg12.688
r_dihedral_angle_4_deg10.441
r_dihedral_angle_1_deg4.246
r_long_range_B_refined2.141
r_long_range_B_other2.141
r_mcangle_it1.089
r_mcangle_other1.089
r_angle_refined_deg0.768
r_angle_other_deg0.669
r_scangle_other0.589
r_mcbond_it0.581
r_mcbond_other0.581
r_scbond_it0.28
r_scbond_other0.28
r_chiral_restr0.046
r_bond_refined_d0.004
r_gen_planes_refined0.003
r_bond_other_d0.001
r_gen_planes_other0.001
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 Atoms22086
Nucleic Acid Atoms
Solvent Atoms86
Heterogen Atoms49

Software

Software
Software NamePurpose
PHASERphasing
REFMACrefinement
XDSdata reduction
SCALAdata scaling