2X1P | pdb_00002x1p

Gelsolin Nanobody


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1HCVPDB ENTRY 1HCV

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
130% PEG 1000, 100 MM PHOSPHATE/ CITRATE PH 4.4, 100 MM LISO4
Crystal Properties
Matthews coefficientSolvent content
2.2450.34

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 55.948α = 90
b = 59.342β = 90.01
c = 81.651γ = 90
Symmetry
Space GroupP 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID23-1ESRFID23-1

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge 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
11.119.7599.50.0623.67.22041831
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.11.1499.80.193.083.5

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 1HCV1.119.512041821078899.50.2040.2030.20.220.22RANDOM12.41
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]
-0.030.020.01
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.271
r_dihedral_angle_4_deg17.103
r_dihedral_angle_3_deg10.709
r_dihedral_angle_1_deg5.599
r_scangle_it2.517
r_scbond_it1.674
r_mcangle_it1.161
r_angle_refined_deg1.119
r_mcbond_it0.739
r_nbtor_refined0.298
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3568
Nucleic Acid Atoms
Solvent Atoms789
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
HKLdata reduction
SCALEPACKdata scaling
PHASERphasing