2WLW | pdb_00002wlw

Structure of the N-terminal capsid domain of HIV-2


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
1.6123.18

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 35.88α = 90
b = 51.12β = 90
c = 75.18γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100 MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODE

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
11.54196.50.0711.23.6230592

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)Mean Isotropic B
X-RAY DIFFRACTIONOTHERTHROUGHOUTNONE1.588.57223059566999.7910.1560.1540.170.185816.659
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]
0.329-0.5850.256
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg31.658
r_dihedral_angle_4_deg21.092
r_dihedral_angle_3_deg14.74
r_scangle_it6.904
r_dihedral_angle_1_deg6.584
r_scbond_it5.016
r_mcangle_it2.82
r_angle_refined_deg2.438
r_mcbond_it1.948
r_symmetry_vdw_refined0.359
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1256
Nucleic Acid Atoms
Solvent Atoms207
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement