3D2N

Crystal structure of MBNL1 tandem zinc finger 1 and 2 domain


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION7.227720% PEG 4000, 0.1M sodium citrate, 20 % isopropanol, pH 7.2, VAPOR DIFFUSION, temperature 277K
Crystal Properties
Matthews coefficientSolvent content
2.6353.22

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 49.32α = 90
b = 49.32β = 90
c = 36.026γ = 120
Symmetry
Space GroupP 31

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 3152007-10-27MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 24-ID-C1.2821APS24-ID-C

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
12.75098.70.062.953362
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)
2.72.890.10.2742.72.3

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 DIFFRACTIONSADTHROUGHOUT2.720255312499.630.232840.230420.27942RANDOM50.872
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]
0.570.280.57-0.85
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg41.775
r_dihedral_angle_3_deg22.044
r_dihedral_angle_4_deg13.888
r_dihedral_angle_1_deg7.874
r_scangle_it1.903
r_angle_refined_deg1.579
r_scbond_it1.231
r_mcangle_it0.717
r_mcbond_it0.398
r_nbtor_refined0.314
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg41.775
r_dihedral_angle_3_deg22.044
r_dihedral_angle_4_deg13.888
r_dihedral_angle_1_deg7.874
r_scangle_it1.903
r_angle_refined_deg1.579
r_scbond_it1.231
r_mcangle_it0.717
r_mcbond_it0.398
r_nbtor_refined0.314
r_nbd_refined0.266
r_symmetry_vdw_refined0.251
r_xyhbond_nbd_refined0.224
r_symmetry_hbond_refined0.14
r_chiral_restr0.109
r_bond_refined_d0.009
r_gen_planes_refined0.004
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 Atoms610
Nucleic Acid Atoms
Solvent Atoms6
Heterogen Atoms2

Software

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