2W2S

Structure of the Lagos bat virus matrix protein


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP4SITTING DROPS CONTAINING 100 NL OF 1.1 MG/ML PROTEIN AND 100 NL OF RESERVOIR SOLUTION (100 MM CITRATE PH 4.0 AND 10%(W/V) POLYETHYLENE GLYCOL (PEG) 6000) WERE EQUILIBRATED AGAINST 95 UL RESERVOIRS AT 20.5C. CRYSTALS WERE CRYOPROTECTED BY BRIEF IMMERSION IN RESERVOIR SOLUTION SUPPLEMENTED WITH 25% V/V GLYCEROL.
Crystal Properties
Matthews coefficientSolvent content
1.9135.61

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 56.87α = 90
b = 56.87β = 90
c = 187.91γ = 120
Symmetry
Space GroupP 61 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARRESEARCHKB PAIR PT COATED SI MIRRORS2006-11-04MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID23-2ESRFID23-2

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
12.7538.7299.60.1310.26.25164-359.7
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)
12.752.8299.40.772.25.4

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 DIFFRACTIONMADTHROUGHOUTNONE2.7538.72486229199.30.210.2070.255RANDOM95.8
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]
0.90.450.9-1.35
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.21
r_dihedral_angle_3_deg15.519
r_dihedral_angle_4_deg14.019
r_dihedral_angle_1_deg5.926
r_scangle_it2.704
r_scbond_it1.654
r_angle_other_deg1.111
r_angle_refined_deg1.093
r_mcangle_it1.074
r_mcbond_it0.535
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.21
r_dihedral_angle_3_deg15.519
r_dihedral_angle_4_deg14.019
r_dihedral_angle_1_deg5.926
r_scangle_it2.704
r_scbond_it1.654
r_angle_other_deg1.111
r_angle_refined_deg1.093
r_mcangle_it1.074
r_mcbond_it0.535
r_chiral_restr0.054
r_bond_refined_d0.009
r_gen_planes_refined0.004
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_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 Atoms1320
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
SCALAdata scaling
autoSHARPphasing