1ZME

CRYSTAL STRUCTURE OF PUT3/DNA COMPLEX


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.52931.0 MM DIMER PROTEIN + 1.5 MM DNA DUPLEX PREPARED. 1.0 MILLILITER (0.1 M MES BUFFER, PH 6.5 + 10 MM MG CL2 + 20 MM NA CL + 20 % PEG 4K) RESERVOIR. HANGING DROP, LINBRO BOX, 20 DEGREE C. WITHIN 5 DAYS, 0.2 X 0.3 X 0.4 MM CRYSTALS., vapor diffusion - hanging drop, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
3.160

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 121.65α = 90
b = 121.65β = 90
c = 39.1γ = 120
Symmetry
Space GroupP 6

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray93IMAGE PLATERIGAKU RAXIS IIMSC/YALE MIRRORS1996-07-02M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU

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
12.530950.0782.91102428.3

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 DIFFRACTIONMULTIPLE ISOMORPHOUS REPLACEMENTTHROUGHOUT2.5810388105791.50.2080.2080.292RANDOM24.27
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]
RMS Deviations
KeyRefinement Restraint Deviation
x_dihedral_angle_d20.8
x_scangle_it6.03
x_scbond_it4.32
x_mcangle_it3.99
x_mcbond_it2.63
x_angle_deg1.753
x_improper_angle_d1.59
x_bond_d0.011
x_bond_d_na
x_bond_d_prot
RMS Deviations
KeyRefinement Restraint Deviation
x_dihedral_angle_d20.8
x_scangle_it6.03
x_scbond_it4.32
x_mcangle_it3.99
x_mcbond_it2.63
x_angle_deg1.753
x_improper_angle_d1.59
x_bond_d0.011
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 Atoms1104
Nucleic Acid Atoms690
Solvent Atoms157
Heterogen Atoms6

Software

Software
Software NamePurpose
PHASESphasing
X-PLORrefinement
MOSFLMdata reduction