1TF6

CO-CRYSTAL STRUCTURE OF XENOPUS TFIIIA ZINC FINGER DOMAIN BOUND TO THE 5S RIBOSOMAL RNA GENE INTERNAL CONTROL REGION


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP8291COMPLEX WAS CRYSTALLIZED FROM 22.5% PEG 4000, 165 MM NACL, 35 MM SODIUM ACETATE, 3.2 MM DTT, 9.2% (VOL/VOL) GLYCEROL, 1.8 MM NAN3, 1.8 MM CADAVERINE-2HCL, 5.5 MM TRIS-HCL, PH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.00K
Crystal Properties
Matthews coefficientSolvent content
3.870

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 64.18α = 90.07
b = 64.712β = 92.98
c = 78.035γ = 102.95
Symmetry
Space GroupP 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray113IMAGE PLATEMARRESEARCHMIRRORS1996-10-19MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X12BNSLSX12B

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (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
132577.40.1280.066.719034-339.7

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMIRTHROUGHOUT3.1821701449781.40.3080.3080.363RANDOM65
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]
17.264.52-0.72-5.821.02-11.4
RMS Deviations
KeyRefinement Restraint Deviation
x_dihedral_angle_d22.9
x_scangle_it4.48
x_mcangle_it4.45
x_scbond_it2.49
x_mcbond_it2.47
x_improper_angle_d0.94
x_angle_deg0.9
x_bond_d0.005
x_bond_d_na
x_bond_d_prot
RMS Deviations
KeyRefinement Restraint Deviation
x_dihedral_angle_d22.9
x_scangle_it4.48
x_mcangle_it4.45
x_scbond_it2.49
x_mcbond_it2.47
x_improper_angle_d0.94
x_angle_deg0.9
x_bond_d0.005
x_bond_d_na
x_bond_d_prot
x_angle_d
x_angle_d_na
x_angle_d_prot
x_angle_deg_na
x_angle_deg_prot
x_dihedral_angle_d_na
x_dihedral_angle_d_prot
x_improper_angle_d_na
x_improper_angle_d_prot
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2953
Nucleic Acid Atoms2530
Solvent Atoms
Heterogen Atoms12

Software

Software
Software NamePurpose
CCP4model building
X-PLORrefinement
DENZOdata reduction
SCALEPACKdata scaling
CCP4phasing
RAVEphasing
DMphasing