5OCC | pdb_00005occ

Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (6G08)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP72930.1M MES, 0.01M Zinc Chloride, 20% PEG 6000, pH 6.0
Crystal Properties
Matthews coefficientSolvent content
2.7955.94

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 70.23α = 90
b = 75.02β = 90
c = 134.95γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6M-F2013-06-26MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID23-20.98ESRFID23-2

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)CC (Half)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
12.5134.9599.50.1340.999.65.523884

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 DIFFRACTIONTHROUGHOUT2.5134.9523884128199.250.195850.192290.19970.260770.2554RANDOM48.578
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]
-3.813.170.64
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.293
r_dihedral_angle_4_deg17.558
r_dihedral_angle_3_deg16.704
r_dihedral_angle_1_deg8.337
r_long_range_B_other5.248
r_long_range_B_refined5.247
r_scangle_other2.555
r_mcangle_it2.286
r_mcangle_other2.286
r_angle_refined_deg2.178
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.293
r_dihedral_angle_4_deg17.558
r_dihedral_angle_3_deg16.704
r_dihedral_angle_1_deg8.337
r_long_range_B_other5.248
r_long_range_B_refined5.247
r_scangle_other2.555
r_mcangle_it2.286
r_mcangle_other2.286
r_angle_refined_deg2.178
r_scbond_it1.777
r_scbond_other1.777
r_mcbond_it1.343
r_mcbond_other1.331
r_angle_other_deg1.154
r_chiral_restr0.119
r_bond_refined_d0.021
r_gen_planes_refined0.01
r_bond_other_d0.002
r_gen_planes_other0.002
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_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms4513
Nucleic Acid Atoms
Solvent Atoms105
Heterogen Atoms59

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
Aimlessdata scaling
MOLREPphasing