6FKP

Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP8.52912.2-2.4 M sodium/potassium phosphate
Crystal Properties
Matthews coefficientSolvent content
2.2445.06

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 72.719α = 90
b = 72.719β = 90
c = 99.894γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS3 6M2017-05-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONDIAMOND BEAMLINE I030.9763DiamondI03

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
1245.7299.90.090.997149.718751
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)
122.050.58

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 DIFFRACTIONTHROUGHOUT245.721775995599.790.195250.193810.22255RANDOM37.622
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]
0.570.57-1.14
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg28.755
r_dihedral_angle_4_deg14.469
r_dihedral_angle_3_deg10.409
r_dihedral_angle_1_deg5.113
r_long_range_B_refined5.057
r_long_range_B_other5.055
r_angle_refined_deg1.264
r_mcangle_it1.243
r_mcangle_other1.243
r_angle_other_deg1.057
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg28.755
r_dihedral_angle_4_deg14.469
r_dihedral_angle_3_deg10.409
r_dihedral_angle_1_deg5.113
r_long_range_B_refined5.057
r_long_range_B_other5.055
r_angle_refined_deg1.264
r_mcangle_it1.243
r_mcangle_other1.243
r_angle_other_deg1.057
r_scangle_other0.968
r_mcbond_it0.685
r_mcbond_other0.685
r_scbond_it0.556
r_scbond_other0.556
r_chiral_restr0.063
r_bond_refined_d0.007
r_gen_planes_refined0.003
r_bond_other_d0.002
r_gen_planes_other0.001
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 Atoms1728
Nucleic Acid Atoms
Solvent Atoms177
Heterogen Atoms29

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
Aimlessdata scaling
REFMACphasing