2FHD

Crystal structure of Crb2 tandem tudor domains


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP7.52950.1M HEPES-Na, 0.8M NaH2PO4, 0.8M KH2PO4, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Crystal Properties
Matthews coefficientSolvent content
3.2562.15

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 116.924α = 90
b = 116.924β = 90
c = 87.015γ = 120
Symmetry
Space GroupP 32 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDCUSTOM-MADEOSMIC VARIMAX2005-08-08MSAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 19-IDAPS19-ID

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
12.45099.90.1935.413.325798
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)
2.42.491000.0823.119.1

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 DIFFRACTIONSADTHROUGHOUT2.4332579813931000.1960.1920.256RANDOM39.92
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]
0.010.010.01-0.02
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.493
r_dihedral_angle_3_deg22.164
r_dihedral_angle_4_deg18.227
r_dihedral_angle_1_deg14.17
r_scangle_it5.95
r_scbond_it4.134
r_angle_refined_deg2.639
r_mcangle_it2.502
r_mcbond_it1.501
r_symmetry_hbond_refined0.426
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.493
r_dihedral_angle_3_deg22.164
r_dihedral_angle_4_deg18.227
r_dihedral_angle_1_deg14.17
r_scangle_it5.95
r_scbond_it4.134
r_angle_refined_deg2.639
r_mcangle_it2.502
r_mcbond_it1.501
r_symmetry_hbond_refined0.426
r_nbtor_refined0.326
r_symmetry_vdw_refined0.283
r_nbd_refined0.279
r_chiral_restr0.246
r_xyhbond_nbd_refined0.238
r_bond_refined_d0.029
r_gen_planes_refined0.009
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_refined
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 Atoms3491
Nucleic Acid Atoms
Solvent Atoms171
Heterogen Atoms60

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling
SOLVEphasing