X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
1.9938.05

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 58.14α = 90
b = 58.14β = 90
c = 55.65γ = 90
Symmetry
Space GroupP 42 21 2

Diffraction

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

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION1.728103120.181
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_tor19.3
p_staggered_tor12.7
p_planar_tor3.4
p_scangle_it2.108
p_mcangle_it1.572
p_scbond_it1.344
p_mcbond_it1.009
p_singtor_nbd0.204
p_chiral_restr0.191
p_xhyhbond_nbd0.175
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor19.3
p_staggered_tor12.7
p_planar_tor3.4
p_scangle_it2.108
p_mcangle_it1.572
p_scbond_it1.344
p_mcbond_it1.009
p_singtor_nbd0.204
p_chiral_restr0.191
p_xhyhbond_nbd0.175
p_multtor_nbd0.15
p_planar_d0.043
p_angle_d0.034
p_bond_d0.018
p_plane_restr0.018
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 Atoms832
Nucleic Acid Atoms
Solvent Atoms64
Heterogen Atoms57

Software

Software
Software NamePurpose
PROLSQrefinement