3DUZ

Crystal structure of the postfusion form of baculovirus fusion protein GP64


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP529310% PEG 6000, 100 mM citric acid, 200 mM potassium sodium tartrate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
2.8456.74

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 87.47α = 90
b = 87.47β = 90
c = 431.59γ = 120
Symmetry
Space GroupH 3 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARMOSAIC 225 mm CCD2007-03-14MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE BM141.0039, 0.8856, 1.0714, 1.0711ESRFBM14

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
12.955097.30.1116.36.8135943.3
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)
2.953.0599.90.553.296.5

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 DIFFRACTIONMADTHROUGHOUT2.9547.841293665797.30.226060.223980.2696RANDOM51.153
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]
212-3
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg38.975
r_dihedral_angle_4_deg22.621
r_dihedral_angle_3_deg17.142
r_dihedral_angle_1_deg6.618
r_scangle_it1.274
r_angle_refined_deg1.087
r_mcangle_it0.774
r_scbond_it0.724
r_mcbond_it0.422
r_nbtor_refined0.301
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg38.975
r_dihedral_angle_4_deg22.621
r_dihedral_angle_3_deg17.142
r_dihedral_angle_1_deg6.618
r_scangle_it1.274
r_angle_refined_deg1.087
r_mcangle_it0.774
r_scbond_it0.724
r_mcbond_it0.422
r_nbtor_refined0.301
r_symmetry_vdw_refined0.234
r_symmetry_hbond_refined0.222
r_nbd_refined0.202
r_xyhbond_nbd_refined0.103
r_chiral_restr0.074
r_metal_ion_refined0.067
r_bond_refined_d0.008
r_gen_planes_refined0.003
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_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 Atoms3360
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms5

Software

Software
Software NamePurpose
REFMACrefinement
DNAdata collection
XDSdata reduction
XSCALEdata scaling
SHARPphasing