2VTY

Vaccinia virus anti-apoptotic F1L is a novel Bcl-2-like domain swapped dimer


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
15.20.9 NACL, 50 MM NA/K PHOSPHATE PH 5.2
Crystal Properties
Matthews coefficientSolvent content
2.6754

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 88.261α = 90
b = 88.261β = 90
c = 88.261γ = 90
Symmetry
Space GroupP 2 3

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATERIGAKU IMAGE PLATECAPILLARY OPTICS2006-08-10MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU MICROMAX-007

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
12.15099.40.0914.45.1136872
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)
12.12.1899.90.553.55.1

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (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 DIFFRACTIONSIRASTHROUGHOUTNONE2.188.391294068099.850.1930.1920.207RANDOM28.971
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]
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.641
r_dihedral_angle_4_deg25.202
r_dihedral_angle_3_deg17.953
r_dihedral_angle_1_deg9.164
r_scangle_it4.845
r_scbond_it3.571
r_mcangle_it2.593
r_angle_refined_deg1.611
r_mcbond_it1.469
r_xyhbond_nbd_refined0.462
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.641
r_dihedral_angle_4_deg25.202
r_dihedral_angle_3_deg17.953
r_dihedral_angle_1_deg9.164
r_scangle_it4.845
r_scbond_it3.571
r_mcangle_it2.593
r_angle_refined_deg1.611
r_mcbond_it1.469
r_xyhbond_nbd_refined0.462
r_nbtor_refined0.306
r_nbd_refined0.236
r_symmetry_vdw_refined0.219
r_symmetry_hbond_refined0.182
r_chiral_restr0.128
r_bond_refined_d0.017
r_gen_planes_refined0.008
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
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_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1162
Nucleic Acid Atoms
Solvent Atoms66
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling
SHELXphasing