1SND

STAPHYLOCOCCAL NUCLEASE DIMER CONTAINING A DELETION OF RESIDUES 114-119 COMPLEXED WITH CALCIUM CHLORIDE AND THE COMPETITIVE INHIBITOR DEOXYTHYMIDINE-3',5'-DIPHOSPHATE


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
3.7266.9

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 132.323α = 90
b = 132.323β = 90
c = 54.782γ = 90
Symmetry
Space GroupP 41 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayIMAGE PLATERIGAKU1993-10-19M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1

Data Collection

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION1.84620.176
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_tor28.1
p_staggered_tor21
p_planar_tor2.9
p_scangle_it2.507
p_mcangle_it1.929
p_scbond_it1.599
p_mcbond_it1.16
p_multtor_nbd0.223
p_singtor_nbd0.196
p_xyhbond_nbd0.193
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor28.1
p_staggered_tor21
p_planar_tor2.9
p_scangle_it2.507
p_mcangle_it1.929
p_scbond_it1.599
p_mcbond_it1.16
p_multtor_nbd0.223
p_singtor_nbd0.196
p_xyhbond_nbd0.193
p_chiral_restr0.128
p_planar_d0.037
p_angle_d0.031
p_plane_restr0.014
p_bond_d0.009
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2062
Nucleic Acid Atoms
Solvent Atoms138
Heterogen Atoms

Software

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