Experiment: 2IOY


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
142900.1M Na Citrate, pH 4.0, 0.1M Potassium Phosphate Mono-Basic, 50% PEG1000, Micro-batch, temperature 290K
Crystal Properties
Matthews coefficientSolvent content
2.0540.08

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 123.18α = 90
b = 35.8β = 107.02
c = 118.03γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARMOSAIC 225 mm CCD2005-12-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 22-BM1.0APS22-BM

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (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
11.915960.080.087.73.33759237592
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
1.9295.10.3240.3241.93.15405

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1.9153759237592189095.430.2010.2010.1990.234RANDOM15.876
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]
0.260.53-0.38
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg39.348
r_dihedral_angle_4_deg14.545
r_dihedral_angle_3_deg12.419
r_dihedral_angle_1_deg6.048
r_scangle_it2.914
r_scbond_it1.978
r_angle_refined_deg1.221
r_mcangle_it1.163
r_angle_other_deg0.928
r_mcbond_it0.799
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms4265
Nucleic Acid Atoms
Solvent Atoms346
Heterogen Atoms20

Software

Software
Software NamePurpose
SCALAdata scaling
REFMACrefinement
PDB_EXTRACTdata extraction
MAR345data collection
XDSdata reduction
CCP4data scaling
AMoREphasing