X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.3291peg400, peg 6K, NaCl, Dioaxne, ZnCl2, Ammonium phosphate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 6.30
Crystal Properties
Matthews coefficientSolvent content
6.3180.51

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 224.098α = 90
b = 394.462β = 90
c = 284.343γ = 90
Symmetry
Space GroupC 2 2 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 2102002-10-31MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALS BEAMLINE 5.0.2ALS5.0.2

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
14.14098.80.1085.93.596816-3
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
14.14.2596.60.6141.063

Refinement

Statistics
Diffraction IDStructure Solution MethodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENT1I6H WITH DNA AND RNA REMOVED 1GO3 COVERTED TO POLY-ALA MODEL4.140847040.33350.33350.3604
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]
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms28288
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms7

Software

Software
Software NamePurpose
SCALEPACKdata scaling
CNSrefinement
CNSphasing