2RTC

APOSTREPTAVIDIN, PH 3.60, SPACE GROUP I222


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
13.6SYNTHETIC MOTHER LIQUOR OF 75% SATURATED AMMONIUM SULFATE, SODIUM FORMATE ADJUSTED TO PH 3.60.
Crystal Properties
Matthews coefficientSolvent content
2.1220.6

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 95.18α = 90
b = 105.39β = 90
c = 47.89γ = 90
Symmetry
Space GroupI 2 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray273IMAGE PLATERIGAKUM
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1

Data Collection

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION1.57.51.922599600.210.210.265
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_d24.6
x_angle_deg4.2
x_bond_d0.019
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
RMS Deviations
KeyRefinement Restraint Deviation
x_dihedral_angle_d24.6
x_angle_deg4.2
x_bond_d0.019
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
x_improper_angle_d_na
x_improper_angle_d_prot
x_mcbond_it
x_mcangle_it
x_scbond_it
x_scangle_it
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1819
Nucleic Acid Atoms
Solvent Atoms111
Heterogen Atoms25

Software

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