1BT6

P11 (S100A10), LIGAND OF ANNEXIN II IN COMPLEX WITH ANNEXIN II N-TERMINUS


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17.5pH 7.5
Crystal Properties
Matthews coefficientSolvent content
2.7756

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 80.6α = 90
b = 56.4β = 114.5
c = 64.3γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray280IMAGE PLATEMARRESEARCHFOCUSSING MONOCHROMATOR AND MONOLAYER1998-04-25M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONLURE BEAMLINE DW32LUREDW32

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
12.46296.80.060.0620.66.259774
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)
2.42.50.611.962.5

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-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1A4P2.420851194296.80.2330.2280.307RANDOM200.1
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
p_transverse_tor26
p_staggered_tor24.7
p_scangle_it4.635
p_planar_tor3.7
p_scbond_it3.26
p_mcangle_it3.176
p_mcbond_it1.976
p_xyhbond_nbd0.352
p_multtor_nbd0.243
p_chiral_restr0.226
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor26
p_staggered_tor24.7
p_scangle_it4.635
p_planar_tor3.7
p_scbond_it3.26
p_mcangle_it3.176
p_mcbond_it1.976
p_xyhbond_nbd0.352
p_multtor_nbd0.243
p_chiral_restr0.226
p_planar_d0.079
p_hb_or_metal_coord0.05
p_angle_d0.039
p_bond_d0.019
p_plane_restr0.009
p_angle_deg
p_singtor_nbd
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1644
Nucleic Acid Atoms
Solvent Atoms22
Heterogen Atoms

Software

Software
Software NamePurpose
AMoREphasing
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling