3T92

Crystal structure of the Taz2:C/EBPepsilon-TAD chimera protein


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1Micro batch under oil8.5277200mM NaCl, 5mM TCEP and 20% isopropanol, pH 8.5, Micro batch under oil, temperature 277K
Crystal Properties
Matthews coefficientSolvent content
2.5651.97

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 47.86α = 90
b = 47.86β = 90
c = 104.13γ = 120
Symmetry
Space GroupP 65

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARMOSAIC 300 mm CCD2010-06-20MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 22-ID1.000APS22-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
11.54096.80.0711.44.42158720897
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)
11.51.698.70.442.93.93755

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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1.5301985010451000.180240.177770.2279RANDOM27.566
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]
0.220.110.22-0.33
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.732
r_dihedral_angle_4_deg18.925
r_dihedral_angle_3_deg13.269
r_scangle_it4.161
r_dihedral_angle_1_deg3.507
r_scbond_it2.528
r_mcangle_it1.452
r_angle_refined_deg1.31
r_mcbond_it0.812
r_chiral_restr0.071
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.732
r_dihedral_angle_4_deg18.925
r_dihedral_angle_3_deg13.269
r_scangle_it4.161
r_dihedral_angle_1_deg3.507
r_scbond_it2.528
r_mcangle_it1.452
r_angle_refined_deg1.31
r_mcbond_it0.812
r_chiral_restr0.071
r_bond_refined_d0.011
r_gen_planes_refined0.007
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms879
Nucleic Acid Atoms
Solvent Atoms169
Heterogen Atoms34

Software

Software
Software NamePurpose
MAR345dtbdata collection
MrBUMPphasing
REFMACrefinement
XDSdata reduction
XDSdata scaling