2JBX

Crystal Structure of the myxoma virus anti-apoptotic protein M11L


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17.21.8 M AMMONIUM SULFATE, 10 MM KSCN, 100 MM HEPES PH 7.2
Crystal Properties
Matthews coefficientSolvent content
2.1943.82

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 39.876α = 71.79
b = 39.398β = 90.09
c = 49.222γ = 81.66
Symmetry
Space GroupP 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATERIGAKU IMAGE PLATEAXCO CAPILLARY OPTICS2005-12-07MSINGLE 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
12.732097.30.1192.774833
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)
12.732.8391.60.3532.4

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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTM11L BAK COMPLEX2.7320689537397.30.2180.2140.286RANDOM42.84
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]
-1.050.390.38-0.7-1.32.46
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.22
r_dihedral_angle_4_deg26.873
r_dihedral_angle_3_deg23.344
r_dihedral_angle_1_deg7.364
r_scangle_it5.538
r_scbond_it3.798
r_mcangle_it2.302
r_angle_refined_deg1.87
r_mcbond_it1.491
r_nbtor_refined0.328
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.22
r_dihedral_angle_4_deg26.873
r_dihedral_angle_3_deg23.344
r_dihedral_angle_1_deg7.364
r_scangle_it5.538
r_scbond_it3.798
r_mcangle_it2.302
r_angle_refined_deg1.87
r_mcbond_it1.491
r_nbtor_refined0.328
r_nbd_refined0.311
r_symmetry_vdw_refined0.283
r_xyhbond_nbd_refined0.205
r_symmetry_hbond_refined0.169
r_chiral_restr0.145
r_bond_refined_d0.017
r_gen_planes_refined0.006
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 Atoms2059
Nucleic Acid Atoms
Solvent Atoms67
Heterogen Atoms

Software

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