2PND

Structure or murine CRIg


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1EVAPORATION7.5298100 mM NaCl, 25 mM TRIS, 20 % PEG 3350, 0.2 M Potassium tartrate, pH 7.5, EVAPORATION, temperature 298K
Crystal Properties
Matthews coefficientSolvent content
1.8132.1

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 31.334α = 90
b = 50.684β = 90
c = 62.809γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 3152005-02-06MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALS BEAMLINE 5.0.21.0ALS5.0.2

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Sym 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
10.975086.30.4115.76.26003251825
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
0.97124.90.212.71.6

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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT2ICC139.5348071251892.220.123050.122090.1416RANDOM8.979
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]
0.79-0.49-0.3
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.703
r_dihedral_angle_4_deg18.968
r_dihedral_angle_3_deg13.841
r_sphericity_free9.51
r_dihedral_angle_1_deg6.401
r_scangle_it5.006
r_mcangle_it3.823
r_sphericity_bonded3.676
r_scbond_it3.627
r_mcbond_it3.436
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.703
r_dihedral_angle_4_deg18.968
r_dihedral_angle_3_deg13.841
r_sphericity_free9.51
r_dihedral_angle_1_deg6.401
r_scangle_it5.006
r_mcangle_it3.823
r_sphericity_bonded3.676
r_scbond_it3.627
r_mcbond_it3.436
r_rigid_bond_restr2.051
r_angle_refined_deg1.535
r_mcbond_other1.337
r_angle_other_deg0.831
r_symmetry_vdw_other0.275
r_symmetry_vdw_refined0.264
r_nbd_refined0.209
r_nbd_other0.204
r_nbtor_refined0.169
r_xyhbond_nbd_refined0.169
r_symmetry_hbond_refined0.165
r_chiral_restr0.11
r_nbtor_other0.084
r_bond_refined_d0.013
r_gen_planes_refined0.007
r_bond_other_d0.002
r_gen_planes_other0.001
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms968
Nucleic Acid Atoms
Solvent Atoms237
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
ADSCdata collection
HKL-2000data reduction
SCALEPACKdata scaling
PHASERphasing