1NDL

THE AWD NUCLEOTIDE DIPHOSPHATE KINASE FROM DROSOPHILA


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
3.6966.65

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 115.65α = 90
b = 115.65β = 90
c = 98.56γ = 120
Symmetry
Space GroupP 32 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.4101275640.167
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_orthonormal_tor20.28
p_staggered_tor17.49
p_scangle_it3.13
p_mcangle_it2.17
p_scbond_it1.85
p_planar_tor1.599
p_mcbond_it1.317
p_multtor_nbd0.26
p_singtor_nbd0.177
p_xhyhbond_nbd0.174
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor20.28
p_staggered_tor17.49
p_scangle_it3.13
p_mcangle_it2.17
p_scbond_it1.85
p_planar_tor1.599
p_mcbond_it1.317
p_multtor_nbd0.26
p_singtor_nbd0.177
p_xhyhbond_nbd0.174
p_chiral_restr0.143
p_angle_d0.038
p_planar_d0.038
p_bond_d0.011
p_plane_restr0.009
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3609
Nucleic Acid Atoms
Solvent Atoms315
Heterogen Atoms

Software

Software
Software NamePurpose
PROLSQrefinement