1YTS | pdb_00001yts

A LIGAND-INDUCED CONFORMATIONAL CHANGE IN THE YERSINIA PROTEIN TYROSINE PHOSPHATASE


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
18.5296MOLECULE: YERSINIA PROTEIN TYROSINE PHOSPHATASE CYS(403)SER COMPLEXED WITH SULFATE. THE CATALYTIC DOMAIN (RESIDUES 163 - 468) OF YOP51 WAS CRYSTALLIZED AT 23 DEGREES CELSIUS, IN A SOLUTION OF 18 - 24% POLYETHYLENE GLYCOL (MW 4000), 5% 2-METHYL-2,4-PENTANEDIOL, 0.1% BETA-MERCAPTOETHANOL, 200MM LI2SO4, 0.1M TRIS-HCL, pH 8.5, temperature 296K
Crystal Properties
Matthews coefficientSolvent content
2.346.54

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 56.4α = 90
b = 49.8β = 90
c = 100.4γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray1992-07-30
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
11.5418

Data Collection

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-Work (Depositor)R-Free (Depositor)Mean Isotropic B
X-RAY DIFFRACTION2.51091560.1740.17418.43
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_angle_deg3.7
x_bond_d0.02
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
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2137
Nucleic Acid Atoms
Solvent Atoms60
Heterogen Atoms10

Software

Software
Software NamePurpose
X-PLORmodel building
X-PLORrefinement
SDMSdata reduction
X-PLORphasing