1IHB

CRYSTAL STRUCTURE OF P18-INK4C(INK6)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP8.5VAPOR DIFFUSION, 4 DEG. C, 2 MICROLITER HANGING DROP CONTAINING 5 MG/ML PROTEIN, 20 MM TRIS (PH 8.5), 25 MM (NH4)2 HPO4, 0.5 MM DDT, 7% PEG 6K, 1 MM NACL EQUILIBRATED OVER A RESERVOIR CONTAINING 14% PEG 6K AND 2 M NACL. WITHIN 8 DAYS, 0.2 X 0.2 X 0.4 MM CRYSTALS., vapor diffusion - hanging drop
Crystal Properties
Matthews coefficientSolvent content
2.344.4

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 55.51α = 90
b = 151.7β = 90
c = 40.46γ = 90
Symmetry
Space GroupP 21 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray93IMAGE PLATEMARRESEARCHMSC/YALE MIRRORS1996-08-18M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1

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
11.953090.30.0492401917.4

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 DIFFRACTIONMIRTHROUGHOUT1.95822215220887.60.2090.2090.289RANDOM18.1
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_d22.1
x_scangle_it5.58
x_scbond_it3.69
x_mcangle_it2.72
x_mcbond_it1.89
x_angle_deg1.5
x_improper_angle_d1.48
x_bond_d0.009
x_bond_d_na
x_bond_d_prot
RMS Deviations
KeyRefinement Restraint Deviation
x_dihedral_angle_d22.1
x_scangle_it5.58
x_scbond_it3.69
x_mcangle_it2.72
x_mcbond_it1.89
x_angle_deg1.5
x_improper_angle_d1.48
x_bond_d0.009
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 Atoms2383
Nucleic Acid Atoms
Solvent Atoms207
Heterogen Atoms

Software

Software
Software NamePurpose
PHASESphasing
X-PLORrefinement
DENZOdata reduction