1OQS | pdb_00001oqs

Crystal Structure of RV4/RV7 Complex


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.2144

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 74.918α = 90
b = 85.125β = 95.1
c = 78.159γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONEMBL/DESY, HAMBURG BEAMLINE X11EMBL/DESY, HAMBURGX11

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
11.92075576

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-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1.9207421013381000.222930.221830.22080.284090.2733RANDOM26.415
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]
-2.4-0.343.16-0.82
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg7.472
r_scangle_it5.405
r_scbond_it3.967
r_angle_refined_deg3.182
r_mcangle_it2.383
r_mcbond_it1.652
r_symmetry_hbond_refined0.627
r_symmetry_vdw_refined0.537
r_nbd_refined0.346
r_xyhbond_nbd_refined0.261
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg7.472
r_scangle_it5.405
r_scbond_it3.967
r_angle_refined_deg3.182
r_mcangle_it2.383
r_mcbond_it1.652
r_symmetry_hbond_refined0.627
r_symmetry_vdw_refined0.537
r_nbd_refined0.346
r_xyhbond_nbd_refined0.261
r_chiral_restr0.24
r_bond_refined_d0.034
r_gen_planes_refined0.016
r_bond_other_d
r_angle_other_deg
r_dihedral_angle_2_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms7655
Nucleic Acid Atoms
Solvent Atoms357
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement